2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C207H213F6N55O17 — CID 160684081

IUPAC2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CCNC2.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CNC2.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CNCC2.Cc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ncc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/2C28H31N7O2.C27H27N7O2.C27H29N7O2.C25H27N7O3.C25H27N7O2.C24H21F3N6O2.C23H20F3N7O2/c1-18-4-5-20(32-27(36)19-6-9-31-24(14-19)28(2,3)17-29)15-21(18)25-33-23-7-8-30-16-22(23)26(34-25)35-10-12-37-13-11-35;1-18-4-5-20(32-27(36)19-6-9-31-24(14-19)28(2,3)17-29)15-22(18)25-33-23-16-30-8-7-21(23)26(34-25)35-10-12-37-13-11-35;1-17-4-5-19(31-26(35)18-6-8-29-22(14-18)27(2,3)16-28)15-20(17)24-32-21-7-9-30-23(21)25(33-24)34-10-12-36-13-11-34;1-17-4-5-19(31-26(35)18-6-7-30-23(12-18)27(2,3)16-28)13-20(17)24-32-22-15-29-14-21(22)25(33-24)34-8-10-36-11-9-34;1-16-19(20-14-21(31-8-10-35-11-9-31)23-27-6-7-32(23)30-20)13-18(15-28-16)29-24(33)17-4-5-26-22(12-17)25(2,3)34;1-16(2)21-12-18(4-5-26-21)25(33)29-19-13-20(17(3)28-15-19)22-14-23(31-8-10-34-11-9-31)24-27-6-7-32(24)30-22;1-15-19(20-13-21(32-7-9-35-10-8-32)22-28-5-6-33(22)31-20)12-18(14-29-15)30-23(34)16-3-2-4-17(11-16)24(25,26)27;1-14-17(18-12-20(32-6-8-35-9-7-32)21-28-4-5-33(21)31-18)11-16(13-29-14)30-22(34)19-10-15(2-3-27-19)23(24,25)26/h2*4-6,9,14-15,30H,7-8,10-13,16H2,1-3H3,(H,32,36);4-9,14-15,30H,10-13H2,1-3H3,(H,31,35);4-7,12-13,29H,8-11,14-15H2,1-3H3,(H,31,35);4-7,12-15,34H,8-11H2,1-3H3,(H,29,33);4-7,12-16H,8-11H2,1-3H3,(H,29,33);2-6,11-14H,7-10H2,1H3,(H,30,34);2-5,10-13H,6-9H2,1H3,(H,30,34)
InChIKeyRONJVFQXNYMAFG-UHFFFAOYSA-N
MW3857.34 g/mol
LogP28.65
Rot. Bonds38

About 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide

2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 160684081) has the molecular formula C207H213F6N55O17 and a molecular weight of 3857.34 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID160684081
Molecular FormulaC207H213F6N55O17
Molecular Weight3857.34 g/mol
Exact Mass3854.74
IUPAC Name2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CCNC2.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CNC2.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CNCC2.Cc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ncc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/2C28H31N7O2.C27H27N7O2.C27H29N7O2.C25H27N7O3.C25H27N7O2.C24H21F3N6O2.C23H20F3N7O2/c1-18-4-5-20(32-27(36)19-6-9-31-24(14-19)28(2,3)17-29)15-21(18)25-33-23-7-8-30-16-22(23)26(34-25)35-10-12-37-13-11-35;1-18-4-5-20(32-27(36)19-6-9-31-24(14-19)28(2,3)17-29)15-22(18)25-33-23-16-30-8-7-21(23)26(34-25)35-10-12-37-13-11-35;1-17-4-5-19(31-26(35)18-6-8-29-22(14-18)27(2,3)16-28)15-20(17)24-32-21-7-9-30-23(21)25(33-24)34-10-12-36-13-11-34;1-17-4-5-19(31-26(35)18-6-7-30-23(12-18)27(2,3)16-28)13-20(17)24-32-22-15-29-14-21(22)25(33-24)34-8-10-36-11-9-34;1-16-19(20-14-21(31-8-10-35-11-9-31)23-27-6-7-32(23)30-20)13-18(15-28-16)29-24(33)17-4-5-26-22(12-17)25(2,3)34;1-16(2)21-12-18(4-5-26-21)25(33)29-19-13-20(17(3)28-15-19)22-14-23(31-8-10-34-11-9-31)24-27-6-7-32(24)30-22;1-15-19(20-13-21(32-7-9-35-10-8-32)22-28-5-6-33(22)31-20)12-18(14-29-15)30-23(34)16-3-2-4-17(11-16)24(25,26)27;1-14-17(18-12-20(32-6-8-35-9-7-32)21-28-4-5-33(21)31-18)11-16(13-29-14)30-22(34)19-10-15(2-3-27-19)23(24,25)26/h2*4-6,9,14-15,30H,7-8,10-13,16H2,1-3H3,(H,32,36);4-9,14-15,30H,10-13H2,1-3H3,(H,31,35);4-7,12-13,29H,8-11,14-15H2,1-3H3,(H,31,35);4-7,12-15,34H,8-11H2,1-3H3,(H,29,33);4-7,12-16H,8-11H2,1-3H3,(H,29,33);2-6,11-14H,7-10H2,1H3,(H,30,34);2-5,10-13H,6-9H2,1H3,(H,30,34)
InChIKeyRONJVFQXNYMAFG-UHFFFAOYSA-N
XLogP28.65
TPSA865.50 Ų
H-Bond Donors13
H-Bond Acceptors63
Rotatable Bonds38
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003857.34
LogP ≤ 528.65
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1063

Analyze 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 160684081) is 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CCNC2.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CNC2.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CNCC2.Cc1ncc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ncc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is RONJVFQXNYMAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H31N7O2.C27H27N7O2.C27H29N7O2.C25H27N7O3.C25H27N7O2.C24H21F3N6O2.C23H20F3N7O2/c1-18-4-5-20(32-27(36)19-6-9-31-24(14-19)28(2,3)17-29)15-21(18)25-33-23-7-8-30-16-22(23)26(34-25)35-10-12-37-13-11-35;1-18-4-5-20(32-27(36)19-6-9-31-24(14-19)28(2,3)17-29)15-22(18)25-33-23-16-30-8-7-21(23)26(34-25)35-10-12-37-13-11-35;1-17-4-5-19(31-26(35)18-6-8-29-22(14-18)27(2,3)16-28)15-20(17)24-32-21-7-9-30-23(21)25(33-24)34-10-12-36-13-11-34;1-17-4-5-19(31-26(35)18-6-7-30-23(12-18)27(2,3)16-28)13-20(17)24-32-22-15-29-14-21(22)25(33-24)34-8-10-36-11-9-34;1-16-19(20-14-21(31-8-10-35-11-9-31)23-27-6-7-32(23)30-20)13-18(15-28-16)29-24(33)17-4-5-26-22(12-17)25(2,3)34;1-16(2)21-12-18(4-5-26-21)25(33)29-19-13-20(17(3)28-15-19)22-14-23(31-8-10-34-11-9-31)24-27-6-7-32(24)30-22;1-15-19(20-13-21(32-7-9-35-10-8-32)22-28-5-6-33(22)31-20)12-18(14-29-15)30-23(34)16-3-2-4-17(11-16)24(25,26)27;1-14-17(18-12-20(32-6-8-35-9-7-32)21-28-4-5-33(21)31-18)11-16(13-29-14)30-22(34)19-10-15(2-3-27-19)23(24,25)26/h2*4-6,9,14-15,30H,7-8,10-13,16H2,1-3H3,(H,32,36);4-9,14-15,30H,10-13H2,1-3H3,(H,31,35);4-7,12-13,29H,8-11,14-15H2,1-3H3,(H,31,35);4-7,12-15,34H,8-11H2,1-3H3,(H,29,33);4-7,12-16H,8-11H2,1-3H3,(H,29,33);2-6,11-14H,7-10H2,1H3,(H,30,34);2-5,10-13H,6-9H2,1H3,(H,30,34).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 3857.34 g/mol, XLogP of 28.65, 38 rotatable bonds, 13 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 160684081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).