[4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C165H220N30O19 — CID 163784920

IUPAC[4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESC.C.C.C.CCNc1c(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)cnc2[nH]ccc12.CNc1c(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)cnc2[nH]ccc12.COCCNc1c(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)cnc2[nH]ccc12.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1-c1cnc2[nH]ccc2c1NC(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1-c1cnc2[nH]ccc2c1NC1CC1.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1-c1cnc2[nH]ccc2c1NC1CCCC1
InChIInChI=1S/C29H37N5O3.C27H35N5O4.C27H33N5O3.C27H35N5O3.C26H33N5O3.C25H31N5O3.4CH4/c1-36-26-18-20(29(35)34-12-9-22(10-13-34)33-14-16-37-17-15-33)6-7-23(26)25-19-31-28-24(8-11-30-28)27(25)32-21-4-2-3-5-21;1-34-14-9-28-25-22-5-8-29-26(22)30-18-23(25)21-4-3-19(17-24(21)35-2)27(33)32-10-6-20(7-11-32)31-12-15-36-16-13-31;1-34-24-16-18(27(33)32-10-7-20(8-11-32)31-12-14-35-15-13-31)2-5-21(24)23-17-29-26-22(6-9-28-26)25(23)30-19-3-4-19;1-18(2)30-25-22-6-9-28-26(22)29-17-23(25)21-5-4-19(16-24(21)34-3)27(33)32-10-7-20(8-11-32)31-12-14-35-15-13-31;1-3-27-24-21-6-9-28-25(21)29-17-22(24)20-5-4-18(16-23(20)33-2)26(32)31-10-7-19(8-11-31)30-12-14-34-15-13-30;1-26-23-20-5-8-27-24(20)28-16-21(23)19-4-3-17(15-22(19)32-2)25(31)30-9-6-18(7-10-30)29-11-13-33-14-12-29;;;;/h6-8,11,18-19,21-22H,2-5,9-10,12-17H2,1H3,(H2,30,31,32);3-5,8,17-18,20H,6-7,9-16H2,1-2H3,(H2,28,29,30);2,5-6,9,16-17,19-20H,3-4,7-8,10-15H2,1H3,(H2,28,29,30);4-6,9,16-18,20H,7-8,10-15H2,1-3H3,(H2,28,29,30);4-6,9,16-17,19H,3,7-8,10-15H2,1-2H3,(H2,27,28,29);3-5,8,15-16,18H,6-7,9-14H2,1-2H3,(H2,26,27,28);4*1H4
InChIKeyMRSCGAAQSYXKJW-UHFFFAOYSA-N
MW2927.77 g/mol
LogP24.88
Rot. Bonds37

About [4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 163784920) has the molecular formula C165H220N30O19 and a molecular weight of 2927.77 g/mol. Its IUPAC name is [4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID163784920
Molecular FormulaC165H220N30O19
Molecular Weight2927.77 g/mol
Exact Mass2925.72
IUPAC Name[4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESC.C.C.C.CCNc1c(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)cnc2[nH]ccc12.CNc1c(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)cnc2[nH]ccc12.COCCNc1c(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)cnc2[nH]ccc12.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1-c1cnc2[nH]ccc2c1NC(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1-c1cnc2[nH]ccc2c1NC1CC1.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1-c1cnc2[nH]ccc2c1NC1CCCC1
InChIInChI=1S/C29H37N5O3.C27H35N5O4.C27H33N5O3.C27H35N5O3.C26H33N5O3.C25H31N5O3.4CH4/c1-36-26-18-20(29(35)34-12-9-22(10-13-34)33-14-16-37-17-15-33)6-7-23(26)25-19-31-28-24(8-11-30-28)27(25)32-21-4-2-3-5-21;1-34-14-9-28-25-22-5-8-29-26(22)30-18-23(25)21-4-3-19(17-24(21)35-2)27(33)32-10-6-20(7-11-32)31-12-15-36-16-13-31;1-34-24-16-18(27(33)32-10-7-20(8-11-32)31-12-14-35-15-13-31)2-5-21(24)23-17-29-26-22(6-9-28-26)25(23)30-19-3-4-19;1-18(2)30-25-22-6-9-28-26(22)29-17-23(25)21-5-4-19(16-24(21)34-3)27(33)32-10-7-20(8-11-32)31-12-14-35-15-13-31;1-3-27-24-21-6-9-28-25(21)29-17-22(24)20-5-4-18(16-23(20)33-2)26(32)31-10-7-19(8-11-31)30-12-14-34-15-13-30;1-26-23-20-5-8-27-24(20)28-16-21(23)19-4-3-17(15-22(19)32-2)25(31)30-9-6-18(7-10-30)29-11-13-33-14-12-29;;;;/h6-8,11,18-19,21-22H,2-5,9-10,12-17H2,1H3,(H2,30,31,32);3-5,8,17-18,20H,6-7,9-16H2,1-2H3,(H2,28,29,30);2,5-6,9,16-17,19-20H,3-4,7-8,10-15H2,1H3,(H2,28,29,30);4-6,9,16-18,20H,7-8,10-15H2,1-3H3,(H2,28,29,30);4-6,9,16-17,19H,3,7-8,10-15H2,1-2H3,(H2,27,28,29);3-5,8,15-16,18H,6-7,9-14H2,1-2H3,(H2,26,27,28);4*1H4
InChIKeyMRSCGAAQSYXKJW-UHFFFAOYSA-N
XLogP24.88
TPSA505.55 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds37
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002927.77
LogP ≤ 524.88
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indole-5-carboxamide;3-[6-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-methylpropanamide;2-[5-methoxy-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indol-1-yl]-1-morpholin-4-ylethanone;2-[5-methoxy-3-[4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]indol-1-yl]-1-piperidin-1-ylethanone
CID 157855391
4-[[4-[[4-(3,5-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(3-oxo-4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]-3H-isoindol-1-one;hydrochloride
CID 158249133
2-[3-(1,1-difluoroethyl)phenyl]-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(3-ethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;3-(4-methylphenyl)-1-[4-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one;3-(4-methylphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 158454169
2-[4-(1,1-difluoroethoxy)phenyl]-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;2-(4-ethoxyphenyl)-1-[4-(6-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone;N-(4-methoxyphenyl)-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide;N-[(4-methylphenyl)methyl]-4-(5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 158584682
N-cyclohexyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158973581
4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide;[4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]methanone;[4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-(2,2-dimethylaziridin-1-yl)methanone;3-methoxy-4-[[5-[4-[1-(methylamino)ethenyl]phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(oxetan-3-yl)benzamide
CID 159786415
4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-N-(2,2-difluoropropyl)-3-methoxybenzamide;[4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-[(3R)-3,4-dimethoxypyrrolidin-1-yl]methanone;[4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-(2,2-dimethylaziridin-1-yl)methanone;3-methoxy-4-[[5-[4-[1-(methylamino)ethenyl]phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(oxetan-3-yl)benzamide
CID 159786416
4-[4-amino-7-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]-6-methylpyrrolo[2,3-d]pyrimidin-5-yl]-N-(4-cyano-2-pyridinyl)benzamide;4-[4-amino-7-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]-6-methylpyrrolo[2,3-d]pyrimidin-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;(E)-1-[(3R)-3-[4-amino-6-methoxy-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 160233117
3-[7-[[4-[(4-butyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(4-ethyl-3-oxopiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(3-oxo-4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 160367633
2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(3-oxo-4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]-3H-isoindol-1-one
CID 161438054
[4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 163708501
(3S)-3-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-6-carboxamide;(1S)-1-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 69049701

Frequently Asked Questions

What is the IUPAC name of [4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 163784920) is [4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is C.C.C.C.CCNc1c(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)cnc2[nH]ccc12.CNc1c(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)cnc2[nH]ccc12.COCCNc1c(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)cnc2[nH]ccc12.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1-c1cnc2[nH]ccc2c1NC(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1-c1cnc2[nH]ccc2c1NC1CC1.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1-c1cnc2[nH]ccc2c1NC1CCCC1.
What is the InChIKey of [4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is MRSCGAAQSYXKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O3.C27H35N5O4.C27H33N5O3.C27H35N5O3.C26H33N5O3.C25H31N5O3.4CH4/c1-36-26-18-20(29(35)34-12-9-22(10-13-34)33-14-16-37-17-15-33)6-7-23(26)25-19-31-28-24(8-11-30-28)27(25)32-21-4-2-3-5-21;1-34-14-9-28-25-22-5-8-29-26(22)30-18-23(25)21-4-3-19(17-24(21)35-2)27(33)32-10-6-20(7-11-32)31-12-15-36-16-13-31;1-34-24-16-18(27(33)32-10-7-20(8-11-32)31-12-14-35-15-13-31)2-5-21(24)23-17-29-26-22(6-9-28-26)25(23)30-19-3-4-19;1-18(2)30-25-22-6-9-28-26(22)29-17-23(25)21-5-4-19(16-24(21)34-3)27(33)32-10-7-20(8-11-32)31-12-14-35-15-13-31;1-3-27-24-21-6-9-28-25(21)29-17-22(24)20-5-4-18(16-23(20)33-2)26(32)31-10-7-19(8-11-31)30-12-14-34-15-13-30;1-26-23-20-5-8-27-24(20)28-16-21(23)19-4-3-17(15-22(19)32-2)25(31)30-9-6-18(7-10-30)29-11-13-33-14-12-29;;;;/h6-8,11,18-19,21-22H,2-5,9-10,12-17H2,1H3,(H2,30,31,32);3-5,8,17-18,20H,6-7,9-16H2,1-2H3,(H2,28,29,30);2,5-6,9,16-17,19-20H,3-4,7-8,10-15H2,1H3,(H2,28,29,30);4-6,9,16-18,20H,7-8,10-15H2,1-3H3,(H2,28,29,30);4-6,9,16-17,19H,3,7-8,10-15H2,1-2H3,(H2,27,28,29);3-5,8,15-16,18H,6-7,9-14H2,1-2H3,(H2,26,27,28);4*1H4.
What are the key properties of [4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 2927.77 g/mol, XLogP of 24.88, 37 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(cyclopropylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[4-[4-(ethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-methoxyphenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;methane;[3-methoxy-4-[4-(2-methoxyethylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone;[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 163784920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).