N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide

C246H294N72O20 — CID 158606906

IUPACN-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3nc(CC)c4ccccn34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3nc(CN)c4ccccn34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3nc(O)c4cnccn34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ncc4ccccn34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ncn4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(COC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C29H35N7O3.C29H35N7O2.3C28H34N8O2.C27H33N9O2.2C26H30N8O2.C25H29N9O3/c1-7-28(37)31-22-16-23(26(39-6)17-25(22)35(4)15-14-34(2)3)32-29-30-13-12-27(33-29)36-18-20(19-38-5)21-10-8-9-11-24(21)36;1-7-20-19-36(24-12-10-9-11-21(20)24)27-13-14-30-29(33-27)32-23-17-22(31-28(37)8-2)25(18-26(23)38-6)35(5)16-15-34(3)4;1-7-19-23-11-9-10-14-36(23)27(31-19)20-12-13-29-28(32-20)33-22-17-21(30-26(37)8-2)24(18-25(22)38-6)35(5)16-15-34(3)4;2*1-7-20-19-11-9-10-12-23(19)36(33-20)26-13-14-29-28(32-26)31-22-17-21(30-27(37)8-2)24(18-25(22)38-6)35(5)16-15-34(3)4;1-6-25(37)30-19-15-20(24(38-5)16-23(19)35(4)14-13-34(2)3)33-27-29-11-10-18(32-27)26-31-21(17-28)22-9-7-8-12-36(22)26;1-6-24(35)29-19-15-20(23(36-5)16-22(19)33(4)14-13-32(2)3)31-26-27-11-10-18(30-26)25-21-9-7-8-12-34(21)17-28-25;1-6-24(35)29-20-15-21(23(36-5)16-22(20)33(4)14-13-32(2)3)31-26-27-11-10-19(30-26)25-28-17-18-9-7-8-12-34(18)25;1-6-22(35)28-17-13-18(21(37-5)14-19(17)33(4)12-11-32(2)3)30-25-27-8-7-16(29-25)23-31-24(36)20-15-26-9-10-34(20)23/h7-13,16-18H,1,14-15,19H2,2-6H3,(H,31,37)(H,30,32,33);8-14,17-19H,2,7,15-16H2,1,3-6H3,(H,31,37)(H,30,32,33);8-14,17-18H,2,7,15-16H2,1,3-6H3,(H,30,37)(H,29,32,33);2*8-14,17-18H,2,7,15-16H2,1,3-6H3,(H,30,37)(H,29,31,32);6-12,15-16H,1,13-14,17,28H2,2-5H3,(H,30,37)(H,29,32,33);2*6-12,15-17H,1,13-14H2,2-5H3,(H,29,35)(H,27,30,31);6-10,13-15,36H,1,11-12H2,2-5H3,(H,28,35)(H,27,29,30)
InChIKeyHWILGKYLPSBPAX-UHFFFAOYSA-N
MW4579.54 g/mol
LogP35.25
Rot. Bonds97

About N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide

N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 158606906) has the molecular formula C246H294N72O20 and a molecular weight of 4579.54 g/mol. Its IUPAC name is N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
PubChem CID158606906
Molecular FormulaC246H294N72O20
Molecular Weight4579.54 g/mol
Exact Mass4576.42
IUPAC NameN-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3nc(CC)c4ccccn34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3nc(CN)c4ccccn34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3nc(O)c4cnccn34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ncc4ccccn34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ncn4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(COC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C
InChIInChI=1S/C29H35N7O3.C29H35N7O2.3C28H34N8O2.C27H33N9O2.2C26H30N8O2.C25H29N9O3/c1-7-28(37)31-22-16-23(26(39-6)17-25(22)35(4)15-14-34(2)3)32-29-30-13-12-27(33-29)36-18-20(19-38-5)21-10-8-9-11-24(21)36;1-7-20-19-36(24-12-10-9-11-21(20)24)27-13-14-30-29(33-27)32-23-17-22(31-28(37)8-2)25(18-26(23)38-6)35(5)16-15-34(3)4;1-7-19-23-11-9-10-14-36(23)27(31-19)20-12-13-29-28(32-20)33-22-17-21(30-26(37)8-2)24(18-25(22)38-6)35(5)16-15-34(3)4;2*1-7-20-19-11-9-10-12-23(19)36(33-20)26-13-14-29-28(32-26)31-22-17-21(30-27(37)8-2)24(18-25(22)38-6)35(5)16-15-34(3)4;1-6-25(37)30-19-15-20(24(38-5)16-23(19)35(4)14-13-34(2)3)33-27-29-11-10-18(32-27)26-31-21(17-28)22-9-7-8-12-36(22)26;1-6-24(35)29-19-15-20(23(36-5)16-22(19)33(4)14-13-32(2)3)31-26-27-11-10-18(30-26)25-21-9-7-8-12-34(21)17-28-25;1-6-24(35)29-20-15-21(23(36-5)16-22(20)33(4)14-13-32(2)3)31-26-27-11-10-19(30-26)25-28-17-18-9-7-8-12-34(18)25;1-6-22(35)28-17-13-18(21(37-5)14-19(17)33(4)12-11-32(2)3)30-25-27-8-7-16(29-25)23-31-24(36)20-15-26-9-10-34(20)23/h7-13,16-18H,1,14-15,19H2,2-6H3,(H,31,37)(H,30,32,33);8-14,17-19H,2,7,15-16H2,1,3-6H3,(H,31,37)(H,30,32,33);8-14,17-18H,2,7,15-16H2,1,3-6H3,(H,30,37)(H,29,32,33);2*8-14,17-18H,2,7,15-16H2,1,3-6H3,(H,30,37)(H,29,31,32);6-12,15-16H,1,13-14,17,28H2,2-5H3,(H,30,37)(H,29,32,33);2*6-12,15-17H,1,13-14H2,2-5H3,(H,29,35)(H,27,30,31);6-10,13-15,36H,1,11-12H2,2-5H3,(H,28,35)(H,27,29,30)
InChIKeyHWILGKYLPSBPAX-UHFFFAOYSA-N
XLogP35.25
TPSA943.95 Ų
H-Bond Donors20
H-Bond Acceptors83
Rotatable Bonds97
Heavy Atoms338
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004579.54
LogP ≤ 535.25
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1083

Analyze N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide (CID 158606906) is N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-c3nc(CC)c4ccccn34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3nc(CN)c4ccccn34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3nc(O)c4cnccn34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ncc4ccccn34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3ncn4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3cc(COC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3nc(CC)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.
What is the InChIKey of N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The InChIKey is HWILGKYLPSBPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O3.C29H35N7O2.3C28H34N8O2.C27H33N9O2.2C26H30N8O2.C25H29N9O3/c1-7-28(37)31-22-16-23(26(39-6)17-25(22)35(4)15-14-34(2)3)32-29-30-13-12-27(33-29)36-18-20(19-38-5)21-10-8-9-11-24(21)36;1-7-20-19-36(24-12-10-9-11-21(20)24)27-13-14-30-29(33-27)32-23-17-22(31-28(37)8-2)25(18-26(23)38-6)35(5)16-15-34(3)4;1-7-19-23-11-9-10-14-36(23)27(31-19)20-12-13-29-28(32-20)33-22-17-21(30-26(37)8-2)24(18-25(22)38-6)35(5)16-15-34(3)4;2*1-7-20-19-11-9-10-12-23(19)36(33-20)26-13-14-29-28(32-26)31-22-17-21(30-27(37)8-2)24(18-25(22)38-6)35(5)16-15-34(3)4;1-6-25(37)30-19-15-20(24(38-5)16-23(19)35(4)14-13-34(2)3)33-27-29-11-10-18(32-27)26-31-21(17-28)22-9-7-8-12-36(22)26;1-6-24(35)29-19-15-20(23(36-5)16-22(19)33(4)14-13-32(2)3)31-26-27-11-10-18(30-26)25-21-9-7-8-12-34(21)17-28-25;1-6-24(35)29-20-15-21(23(36-5)16-22(20)33(4)14-13-32(2)3)31-26-27-11-10-19(30-26)25-28-17-18-9-7-8-12-34(18)25;1-6-22(35)28-17-13-18(21(37-5)14-19(17)33(4)12-11-32(2)3)30-25-27-8-7-16(29-25)23-31-24(36)20-15-26-9-10-34(20)23/h7-13,16-18H,1,14-15,19H2,2-6H3,(H,31,37)(H,30,32,33);8-14,17-19H,2,7,15-16H2,1,3-6H3,(H,31,37)(H,30,32,33);8-14,17-18H,2,7,15-16H2,1,3-6H3,(H,30,37)(H,29,32,33);2*8-14,17-18H,2,7,15-16H2,1,3-6H3,(H,30,37)(H,29,31,32);6-12,15-16H,1,13-14,17,28H2,2-5H3,(H,30,37)(H,29,32,33);2*6-12,15-17H,1,13-14H2,2-5H3,(H,29,35)(H,27,30,31);6-10,13-15,36H,1,11-12H2,2-5H3,(H,28,35)(H,27,29,30).
What are the key properties of N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 4579.54 g/mol, XLogP of 35.25, 97 rotatable bonds, 20 hydrogen bond donors, and 83 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-ethylimidazo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(3-ethylindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-hydroxyimidazo[1,5-a]pyrazin-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-imidazo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[3-(methoxymethyl)indol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 158606906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).