1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one

C191H180N50O14 — CID 157375485

IUPAC1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one
SMILESCn1nc(-c2cccnc2)cc1CC(=O)Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.Cn1nc(-c2cccnc2)cc1CC(=O)Cc1ccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)cc1.Cn1nc(-c2cccnc2)cc1CC(=O)Cc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1.O=C(Cc1ccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1.O=C(Cc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/2C28H27N7O2.C28H26N6O2.C27H26N8O2.2C27H25N7O2.C26H24N8O2/c1-34-22(17-25(33-34)21-3-2-9-29-18-21)16-23(36)15-19-4-6-20(7-5-19)27-31-24-8-10-30-28(26(24)32-27)35-11-13-37-14-12-35;1-34-22(15-26(33-34)21-3-2-8-29-17-21)14-23(36)13-19-4-6-20(7-5-19)25-16-24-27(32-25)30-18-31-28(24)35-9-11-37-12-10-35;35-23(15-22-16-27(33-32-22)21-2-1-8-29-18-21)14-19-3-5-20(6-4-19)26-17-24-25(31-26)7-9-30-28(24)34-10-12-36-13-11-34;1-34-21(15-23(33-34)20-3-2-8-28-16-20)14-22(36)13-18-4-6-19(7-5-18)25-31-24-26(32-25)29-17-30-27(24)35-9-11-37-12-10-35;35-22(15-21-16-24(33-32-21)20-2-1-8-28-17-20)14-18-3-5-19(6-4-18)26-30-23-7-9-29-27(25(23)31-26)34-10-12-36-13-11-34;35-22(13-21-14-25(33-32-21)20-2-1-7-28-16-20)12-18-3-5-19(6-4-18)24-15-23-26(31-24)29-17-30-27(23)34-8-10-36-11-9-34;35-21(13-20-14-22(33-32-20)19-2-1-7-27-15-19)12-17-3-5-18(6-4-17)24-30-23-25(31-24)28-16-29-26(23)34-8-10-36-11-9-34/h2-10,17-18H,11-16H2,1H3,(H,31,32);2-8,15-18H,9-14H2,1H3,(H,30,31,32);1-9,16-18,31H,10-15H2,(H,32,33);2-8,15-17H,9-14H2,1H3,(H,29,30,31,32);1-9,16-17H,10-15H2,(H,30,31)(H,32,33);1-7,14-17H,8-13H2,(H,32,33)(H,29,30,31);1-7,14-16H,8-13H2,(H,32,33)(H,28,29,30,31)
InChIKeyBKGYEYHTMANWIE-UHFFFAOYSA-N
MW3399.88 g/mol
LogP24.63
Rot. Bonds49

About 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one

1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one (PubChem CID 157375485) has the molecular formula C191H180N50O14 and a molecular weight of 3399.88 g/mol. Its IUPAC name is 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one
PubChem CID157375485
Molecular FormulaC191H180N50O14
Molecular Weight3399.88 g/mol
Exact Mass3397.49
IUPAC Name1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one
SMILESCn1nc(-c2cccnc2)cc1CC(=O)Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.Cn1nc(-c2cccnc2)cc1CC(=O)Cc1ccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)cc1.Cn1nc(-c2cccnc2)cc1CC(=O)Cc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1.O=C(Cc1ccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1.O=C(Cc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/2C28H27N7O2.C28H26N6O2.C27H26N8O2.2C27H25N7O2.C26H24N8O2/c1-34-22(17-25(33-34)21-3-2-9-29-18-21)16-23(36)15-19-4-6-20(7-5-19)27-31-24-8-10-30-28(26(24)32-27)35-11-13-37-14-12-35;1-34-22(15-26(33-34)21-3-2-8-29-17-21)14-23(36)13-19-4-6-20(7-5-19)25-16-24-27(32-25)30-18-31-28(24)35-9-11-37-12-10-35;35-23(15-22-16-27(33-32-22)21-2-1-8-29-18-21)14-19-3-5-20(6-4-19)26-17-24-25(31-26)7-9-30-28(24)34-10-12-36-13-11-34;1-34-21(15-23(33-34)20-3-2-8-28-16-20)14-22(36)13-18-4-6-19(7-5-18)25-31-24-26(32-25)29-17-30-27(24)35-9-11-37-12-10-35;35-22(15-21-16-24(33-32-21)20-2-1-8-28-17-20)14-18-3-5-19(6-4-18)26-30-23-7-9-29-27(25(23)31-26)34-10-12-36-13-11-34;35-22(13-21-14-25(33-32-21)20-2-1-7-28-16-20)12-18-3-5-19(6-4-18)24-15-23-26(31-24)29-17-30-27(23)34-8-10-36-11-9-34;35-21(13-20-14-22(33-32-20)19-2-1-7-27-15-19)12-17-3-5-18(6-4-17)24-30-23-25(31-24)28-16-29-26(23)34-8-10-36-11-9-34/h2-10,17-18H,11-16H2,1H3,(H,31,32);2-8,15-18H,9-14H2,1H3,(H,30,31,32);1-9,16-18,31H,10-15H2,(H,32,33);2-8,15-17H,9-14H2,1H3,(H,29,30,31,32);1-9,16-17H,10-15H2,(H,30,31)(H,32,33);1-7,14-17H,8-13H2,(H,32,33)(H,29,30,31);1-7,14-16H,8-13H2,(H,32,33)(H,28,29,30,31)
InChIKeyBKGYEYHTMANWIE-UHFFFAOYSA-N
XLogP24.63
TPSA769.07 Ų
H-Bond Donors11
H-Bond Acceptors53
Rotatable Bonds49
Heavy Atoms255
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003399.88
LogP ≤ 524.63
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1053

Analyze 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one?
The IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one (CID 157375485) is 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one?
The canonical SMILES for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one is Cn1nc(-c2cccnc2)cc1CC(=O)Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1.Cn1nc(-c2cccnc2)cc1CC(=O)Cc1ccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)cc1.Cn1nc(-c2cccnc2)cc1CC(=O)Cc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1.O=C(Cc1ccc(-c2cc3c(N4CCOCC4)ncnc3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1.O=C(Cc1ccc(-c2nc3c(N4CCOCC4)nccc3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1.O=C(Cc1ccc(-c2nc3ncnc(N4CCOCC4)c3[nH]2)cc1)Cc1cc(-c2cccnc2)n[nH]1.
What is the InChIKey of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one?
The InChIKey is BKGYEYHTMANWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27N7O2.C28H26N6O2.C27H26N8O2.2C27H25N7O2.C26H24N8O2/c1-34-22(17-25(33-34)21-3-2-9-29-18-21)16-23(36)15-19-4-6-20(7-5-19)27-31-24-8-10-30-28(26(24)32-27)35-11-13-37-14-12-35;1-34-22(15-26(33-34)21-3-2-8-29-17-21)14-23(36)13-19-4-6-20(7-5-19)25-16-24-27(32-25)30-18-31-28(24)35-9-11-37-12-10-35;35-23(15-22-16-27(33-32-22)21-2-1-8-29-18-21)14-19-3-5-20(6-4-19)26-17-24-25(31-26)7-9-30-28(24)34-10-12-36-13-11-34;1-34-21(15-23(33-34)20-3-2-8-28-16-20)14-22(36)13-18-4-6-19(7-5-18)25-31-24-26(32-25)29-17-30-27(24)35-9-11-37-12-10-35;35-22(15-21-16-24(33-32-21)20-2-1-8-28-17-20)14-18-3-5-19(6-4-18)26-30-23-7-9-29-27(25(23)31-26)34-10-12-36-13-11-34;35-22(13-21-14-25(33-32-21)20-2-1-7-28-16-20)12-18-3-5-19(6-4-18)24-15-23-26(31-24)29-17-30-27(23)34-8-10-36-11-9-34;35-21(13-20-14-22(33-32-20)19-2-1-7-27-15-19)12-17-3-5-18(6-4-17)24-30-23-25(31-24)28-16-29-26(23)34-8-10-36-11-9-34/h2-10,17-18H,11-16H2,1H3,(H,31,32);2-8,15-18H,9-14H2,1H3,(H,30,31,32);1-9,16-18,31H,10-15H2,(H,32,33);2-8,15-17H,9-14H2,1H3,(H,29,30,31,32);1-9,16-17H,10-15H2,(H,30,31)(H,32,33);1-7,14-17H,8-13H2,(H,32,33)(H,29,30,31);1-7,14-16H,8-13H2,(H,32,33)(H,28,29,30,31).
What are the key properties of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one?
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one has a molecular weight of 3399.88 g/mol, XLogP of 24.63, 49 rotatable bonds, 11 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]propan-2-one;1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]propan-2-one;1-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(6-morpholin-4-yl-7H-purin-8-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one;1-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-3-(3-pyridin-3-yl-1H-pyrazol-5-yl)propan-2-one is sourced from PubChem (CID 157375485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).