2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide

C275H313Cl5F3N69O32 — CID 157391010

IUPAC2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
SMILESCC[C@H]1Cc2cc(C)n(CC(=O)NCc3cc4c(Cl)c[nH]c4cn3)c(=O)c2NC1=O.Cc1c(Cl)c2c(c(=O)n1CC(=O)NCc1cc3cc[nH]c3cn1)NC(=O)C(CC1CCC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cc3c(Cl)c[nH]c3cn1)NC(=O)[C@@H](CC1CCC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cc3cc[nH]c3cn1)NC(=O)[C@@H](CC1CC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cc3cc[nH]c3cn1)NC(=O)[C@@H](CC1CCC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cnc3[nH]cc(F)c3c1)NC(=O)C(CC1CCC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cnc3nc[nH]c3c1)NC(=O)C(CC1CCC1)C2.Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1cc2c(Cl)c[nH]c2cn1.Cc1cnc(NCCC2CCCCN2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1.Cc1cnc(NCCCCC2CC2)c(=O)n1CC(=O)NCc1cc2c(Cl)c[nH]c2cn1.Cc1cnc(NCCN(CC2CC2)CC2CC2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1.Cc1cnc(NCCOCC2CC2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1
InChIInChI=1S/C25H33N7O2.2C24H26ClN5O3.C24H26FN5O3.C24H27N5O3.C23H26N6O3.C23H25N5O3.C22H20ClF2N7O2.C22H27ClN6O2.C22H29N7O2.C21H22ClN5O3.C21H26N6O3/c1-17-11-30-24(27-8-9-31(14-18-2-3-18)15-19-4-5-19)25(34)32(17)16-23(33)29-12-21-10-20-6-7-26-22(20)13-28-21;1-13-5-15-7-16(6-14-3-2-4-14)23(32)29-22(15)24(33)30(13)12-21(31)28-9-17-8-18-19(25)10-27-20(18)11-26-17;1-13-21(25)18-9-16(7-14-3-2-4-14)23(32)29-22(18)24(33)30(13)12-20(31)28-10-17-8-15-5-6-26-19(15)11-27-17;1-13-5-16-8-17(6-14-3-2-4-14)23(32)29-21(16)24(33)30(13)12-20(31)26-9-15-7-18-19(25)11-28-22(18)27-10-15;1-14-7-17-9-18(8-15-3-2-4-15)23(31)28-22(17)24(32)29(14)13-21(30)27-11-19-10-16-5-6-25-20(16)12-26-19;1-13-5-16-8-17(6-14-3-2-4-14)22(31)28-20(16)23(32)29(13)11-19(30)24-9-15-7-18-21(25-10-15)27-12-26-18;1-13-6-16-8-17(7-14-2-3-14)22(30)27-21(16)23(31)28(13)12-20(29)26-10-18-9-15-4-5-24-19(15)11-25-18;1-13-7-30-20(31-12-22(24,25)18-4-2-3-5-26-18)21(34)32(13)11-19(33)29-8-14-6-15-16(23)9-28-17(15)10-27-14;1-14-9-28-21(24-7-3-2-4-15-5-6-15)22(31)29(14)13-20(30)27-10-16-8-17-18(23)11-26-19(17)12-25-16;1-15-11-28-21(25-9-6-17-4-2-3-7-23-17)22(31)29(15)14-20(30)27-12-18-10-16-5-8-24-19(16)13-26-18;1-3-12-5-13-4-11(2)27(21(30)19(13)26-20(12)29)10-18(28)25-7-14-6-15-16(22)8-24-17(15)9-23-14;1-14-9-26-20(23-6-7-30-13-15-2-3-15)21(29)27(14)12-19(28)25-10-17-8-16-4-5-22-18(16)11-24-17/h6-7,10-11,13,18-19,26H,2-5,8-9,12,14-16H2,1H3,(H,27,30)(H,29,33);5,8,10-11,14,16,27H,2-4,6-7,9,12H2,1H3,(H,28,31)(H,29,32);5-6,8,11,14,16,26H,2-4,7,9-10,12H2,1H3,(H,28,31)(H,29,32);5,7,10-11,14,17H,2-4,6,8-9,12H2,1H3,(H,26,31)(H,27,28)(H,29,32);5-7,10,12,15,18,25H,2-4,8-9,11,13H2,1H3,(H,27,30)(H,28,31);5,7,10,12,14,17H,2-4,6,8-9,11H2,1H3,(H,24,30)(H,28,31)(H,25,26,27);4-6,9,11,14,17,24H,2-3,7-8,10,12H2,1H3,(H,26,29)(H,27,30);2-7,9-10,28H,8,11-12H2,1H3,(H,29,33)(H,30,31);8-9,11-12,15,26H,2-7,10,13H2,1H3,(H,24,28)(H,27,30);5,8,10-11,13,17,23-24H,2-4,6-7,9,12,14H2,1H3,(H,25,28)(H,27,30);4,6,8-9,12,24H,3,5,7,10H2,1-2H3,(H,25,28)(H,26,29);4-5,8-9,11,15,22H,2-3,6-7,10,12-13H2,1H3,(H,23,26)(H,25,28)/t;16-;;;18-;;17-;;;;12-;/m.0..0.0...0./s1
InChIKeyBLZSDLCYJPDNKQ-STAVVVNESA-N
MW5331.24 g/mol
LogP30.81
Rot. Bonds89

About 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide

2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide (PubChem CID 157391010) has the molecular formula C275H313Cl5F3N69O32 and a molecular weight of 5331.24 g/mol. Its IUPAC name is 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
PubChem CID157391010
Molecular FormulaC275H313Cl5F3N69O32
Molecular Weight5331.24 g/mol
Exact Mass5325.34
IUPAC Name2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide
SMILESCC[C@H]1Cc2cc(C)n(CC(=O)NCc3cc4c(Cl)c[nH]c4cn3)c(=O)c2NC1=O.Cc1c(Cl)c2c(c(=O)n1CC(=O)NCc1cc3cc[nH]c3cn1)NC(=O)C(CC1CCC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cc3c(Cl)c[nH]c3cn1)NC(=O)[C@@H](CC1CCC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cc3cc[nH]c3cn1)NC(=O)[C@@H](CC1CC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cc3cc[nH]c3cn1)NC(=O)[C@@H](CC1CCC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cnc3[nH]cc(F)c3c1)NC(=O)C(CC1CCC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cnc3nc[nH]c3c1)NC(=O)C(CC1CCC1)C2.Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1cc2c(Cl)c[nH]c2cn1.Cc1cnc(NCCC2CCCCN2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1.Cc1cnc(NCCCCC2CC2)c(=O)n1CC(=O)NCc1cc2c(Cl)c[nH]c2cn1.Cc1cnc(NCCN(CC2CC2)CC2CC2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1.Cc1cnc(NCCOCC2CC2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1
InChIInChI=1S/C25H33N7O2.2C24H26ClN5O3.C24H26FN5O3.C24H27N5O3.C23H26N6O3.C23H25N5O3.C22H20ClF2N7O2.C22H27ClN6O2.C22H29N7O2.C21H22ClN5O3.C21H26N6O3/c1-17-11-30-24(27-8-9-31(14-18-2-3-18)15-19-4-5-19)25(34)32(17)16-23(33)29-12-21-10-20-6-7-26-22(20)13-28-21;1-13-5-15-7-16(6-14-3-2-4-14)23(32)29-22(15)24(33)30(13)12-21(31)28-9-17-8-18-19(25)10-27-20(18)11-26-17;1-13-21(25)18-9-16(7-14-3-2-4-14)23(32)29-22(18)24(33)30(13)12-20(31)28-10-17-8-15-5-6-26-19(15)11-27-17;1-13-5-16-8-17(6-14-3-2-4-14)23(32)29-21(16)24(33)30(13)12-20(31)26-9-15-7-18-19(25)11-28-22(18)27-10-15;1-14-7-17-9-18(8-15-3-2-4-15)23(31)28-22(17)24(32)29(14)13-21(30)27-11-19-10-16-5-6-25-20(16)12-26-19;1-13-5-16-8-17(6-14-3-2-4-14)22(31)28-20(16)23(32)29(13)11-19(30)24-9-15-7-18-21(25-10-15)27-12-26-18;1-13-6-16-8-17(7-14-2-3-14)22(30)27-21(16)23(31)28(13)12-20(29)26-10-18-9-15-4-5-24-19(15)11-25-18;1-13-7-30-20(31-12-22(24,25)18-4-2-3-5-26-18)21(34)32(13)11-19(33)29-8-14-6-15-16(23)9-28-17(15)10-27-14;1-14-9-28-21(24-7-3-2-4-15-5-6-15)22(31)29(14)13-20(30)27-10-16-8-17-18(23)11-26-19(17)12-25-16;1-15-11-28-21(25-9-6-17-4-2-3-7-23-17)22(31)29(15)14-20(30)27-12-18-10-16-5-8-24-19(16)13-26-18;1-3-12-5-13-4-11(2)27(21(30)19(13)26-20(12)29)10-18(28)25-7-14-6-15-16(22)8-24-17(15)9-23-14;1-14-9-26-20(23-6-7-30-13-15-2-3-15)21(29)27(14)12-19(28)25-10-17-8-16-4-5-22-18(16)11-24-17/h6-7,10-11,13,18-19,26H,2-5,8-9,12,14-16H2,1H3,(H,27,30)(H,29,33);5,8,10-11,14,16,27H,2-4,6-7,9,12H2,1H3,(H,28,31)(H,29,32);5-6,8,11,14,16,26H,2-4,7,9-10,12H2,1H3,(H,28,31)(H,29,32);5,7,10-11,14,17H,2-4,6,8-9,12H2,1H3,(H,26,31)(H,27,28)(H,29,32);5-7,10,12,15,18,25H,2-4,8-9,11,13H2,1H3,(H,27,30)(H,28,31);5,7,10,12,14,17H,2-4,6,8-9,11H2,1H3,(H,24,30)(H,28,31)(H,25,26,27);4-6,9,11,14,17,24H,2-3,7-8,10,12H2,1H3,(H,26,29)(H,27,30);2-7,9-10,28H,8,11-12H2,1H3,(H,29,33)(H,30,31);8-9,11-12,15,26H,2-7,10,13H2,1H3,(H,24,28)(H,27,30);5,8,10-11,13,17,23-24H,2-4,6-7,9,12,14H2,1H3,(H,25,28)(H,27,30);4,6,8-9,12,24H,3,5,7,10H2,1-2H3,(H,25,28)(H,26,29);4-5,8-9,11,15,22H,2-3,6-7,10,12-13H2,1H3,(H,23,26)(H,25,28)/t;16-;;;18-;;17-;;;;12-;/m.0..0.0...0./s1
InChIKeyBLZSDLCYJPDNKQ-STAVVVNESA-N
XLogP30.81
TPSA1335.94 Ų
H-Bond Donors37
H-Bond Acceptors70
Rotatable Bonds89
Heavy Atoms384
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005331.24
LogP ≤ 530.81
H-Bond Donors ≤ 537
H-Bond Acceptors ≤ 1070

Analyze 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The IUPAC name of 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide (CID 157391010) is 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide is CC[C@H]1Cc2cc(C)n(CC(=O)NCc3cc4c(Cl)c[nH]c4cn3)c(=O)c2NC1=O.Cc1c(Cl)c2c(c(=O)n1CC(=O)NCc1cc3cc[nH]c3cn1)NC(=O)C(CC1CCC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cc3c(Cl)c[nH]c3cn1)NC(=O)[C@@H](CC1CCC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cc3cc[nH]c3cn1)NC(=O)[C@@H](CC1CC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cc3cc[nH]c3cn1)NC(=O)[C@@H](CC1CCC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cnc3[nH]cc(F)c3c1)NC(=O)C(CC1CCC1)C2.Cc1cc2c(c(=O)n1CC(=O)NCc1cnc3nc[nH]c3c1)NC(=O)C(CC1CCC1)C2.Cc1cnc(NCC(F)(F)c2ccccn2)c(=O)n1CC(=O)NCc1cc2c(Cl)c[nH]c2cn1.Cc1cnc(NCCC2CCCCN2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1.Cc1cnc(NCCCCC2CC2)c(=O)n1CC(=O)NCc1cc2c(Cl)c[nH]c2cn1.Cc1cnc(NCCN(CC2CC2)CC2CC2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1.Cc1cnc(NCCOCC2CC2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2cn1.
What is the InChIKey of 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
The InChIKey is BLZSDLCYJPDNKQ-STAVVVNESA-N. The full InChI is InChI=1S/C25H33N7O2.2C24H26ClN5O3.C24H26FN5O3.C24H27N5O3.C23H26N6O3.C23H25N5O3.C22H20ClF2N7O2.C22H27ClN6O2.C22H29N7O2.C21H22ClN5O3.C21H26N6O3/c1-17-11-30-24(27-8-9-31(14-18-2-3-18)15-19-4-5-19)25(34)32(17)16-23(33)29-12-21-10-20-6-7-26-22(20)13-28-21;1-13-5-15-7-16(6-14-3-2-4-14)23(32)29-22(15)24(33)30(13)12-21(31)28-9-17-8-18-19(25)10-27-20(18)11-26-17;1-13-21(25)18-9-16(7-14-3-2-4-14)23(32)29-22(18)24(33)30(13)12-20(31)28-10-17-8-15-5-6-26-19(15)11-27-17;1-13-5-16-8-17(6-14-3-2-4-14)23(32)29-21(16)24(33)30(13)12-20(31)26-9-15-7-18-19(25)11-28-22(18)27-10-15;1-14-7-17-9-18(8-15-3-2-4-15)23(31)28-22(17)24(32)29(14)13-21(30)27-11-19-10-16-5-6-25-20(16)12-26-19;1-13-5-16-8-17(6-14-3-2-4-14)22(31)28-20(16)23(32)29(13)11-19(30)24-9-15-7-18-21(25-10-15)27-12-26-18;1-13-6-16-8-17(7-14-2-3-14)22(30)27-21(16)23(31)28(13)12-20(29)26-10-18-9-15-4-5-24-19(15)11-25-18;1-13-7-30-20(31-12-22(24,25)18-4-2-3-5-26-18)21(34)32(13)11-19(33)29-8-14-6-15-16(23)9-28-17(15)10-27-14;1-14-9-28-21(24-7-3-2-4-15-5-6-15)22(31)29(14)13-20(30)27-10-16-8-17-18(23)11-26-19(17)12-25-16;1-15-11-28-21(25-9-6-17-4-2-3-7-23-17)22(31)29(15)14-20(30)27-12-18-10-16-5-8-24-19(16)13-26-18;1-3-12-5-13-4-11(2)27(21(30)19(13)26-20(12)29)10-18(28)25-7-14-6-15-16(22)8-24-17(15)9-23-14;1-14-9-26-20(23-6-7-30-13-15-2-3-15)21(29)27(14)12-19(28)25-10-17-8-16-4-5-22-18(16)11-24-17/h6-7,10-11,13,18-19,26H,2-5,8-9,12,14-16H2,1H3,(H,27,30)(H,29,33);5,8,10-11,14,16,27H,2-4,6-7,9,12H2,1H3,(H,28,31)(H,29,32);5-6,8,11,14,16,26H,2-4,7,9-10,12H2,1H3,(H,28,31)(H,29,32);5,7,10-11,14,17H,2-4,6,8-9,12H2,1H3,(H,26,31)(H,27,28)(H,29,32);5-7,10,12,15,18,25H,2-4,8-9,11,13H2,1H3,(H,27,30)(H,28,31);5,7,10,12,14,17H,2-4,6,8-9,11H2,1H3,(H,24,30)(H,28,31)(H,25,26,27);4-6,9,11,14,17,24H,2-3,7-8,10,12H2,1H3,(H,26,29)(H,27,30);2-7,9-10,28H,8,11-12H2,1H3,(H,29,33)(H,30,31);8-9,11-12,15,26H,2-7,10,13H2,1H3,(H,24,28)(H,27,30);5,8,10-11,13,17,23-24H,2-4,6-7,9,12,14H2,1H3,(H,25,28)(H,27,30);4,6,8-9,12,24H,3,5,7,10H2,1-2H3,(H,25,28)(H,26,29);4-5,8-9,11,15,22H,2-3,6-7,10,12-13H2,1H3,(H,23,26)(H,25,28)/t;16-;;;18-;;17-;;;;12-;/m.0..0.0...0./s1.
What are the key properties of 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide?
2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide has a molecular weight of 5331.24 g/mol, XLogP of 30.81, 89 rotatable bonds, 37 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[bis(cyclopropylmethyl)amino]ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[5-chloro-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-(4-cyclopropylbutylamino)-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide;N-[(3-chloro-1H-pyrrolo[2,3-c]pyridin-5-yl)methyl]-2-[(3S)-3-ethyl-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]acetamide;2-[3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)acetamide;2-[(3S)-3-(cyclobutylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[3-[2-(cyclopropylmethoxy)ethylamino]-6-methyl-2-oxopyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[(3S)-3-(cyclopropylmethyl)-6-methyl-2,8-dioxo-3,4-dihydro-1H-1,7-naphthyridin-7-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide;2-[6-methyl-2-oxo-3-(2-piperidin-2-ylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)acetamide is sourced from PubChem (CID 157391010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).