N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide

C180H229N29O20 — CID 158529832

IUPACN-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide
SMILESCCNC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.COC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.COC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(-n4cncn4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCCCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCOCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C32H43N5O3.C31H41N5O4.C30H39N5O3.C30H38N4O4.C29H36N4O4.C28H32N6O2/c1-22(2)34-31(38)25-11-13-27(14-12-25)37-28-20-30(40-18-17-36-15-5-4-6-16-36)33-21-26(28)19-29(37)35-32(39)24-9-7-23(3)8-10-24;1-21(2)33-30(37)24-8-10-26(11-9-24)36-27-19-29(40-17-14-35-12-15-39-16-13-35)32-20-25(27)18-28(36)34-31(38)23-6-4-22(3)5-7-23;1-2-31-29(36)23-11-13-25(14-12-23)35-26-20-28(38-18-17-34-15-7-4-8-16-34)32-21-24(26)19-27(35)33-30(37)22-9-5-3-6-10-22;1-21-6-8-22(9-7-21)29(35)32-27-18-24-20-31-28(38-17-16-33-14-4-3-5-15-33)19-26(24)34(27)25-12-10-23(11-13-25)30(36)37-2;1-36-29(35)22-10-12-24(13-11-22)33-25-19-27(37-17-16-32-14-6-3-7-15-32)30-20-23(25)18-26(33)31-28(34)21-8-4-2-5-9-21;1-18(2)31-27(35)21-8-11-23(12-9-21)34-25-15-24(33-17-29-16-30-33)13-10-22(25)14-26(34)32-28(36)20-6-4-19(3)5-7-20/h7-10,20-22,25,27H,4-6,11-19H2,1-3H3,(H,34,38);4-7,19-21,24,26H,8-18H2,1-3H3,(H,33,37);3,5-6,9-10,20-21,23,25H,2,4,7-8,11-19H2,1H3,(H,31,36);6-9,19-20,23,25H,3-5,10-18H2,1-2H3;2,4-5,8-9,19-20,22,24H,3,6-7,10-18H2,1H3;4-7,10,13,15-18,21,23H,8-9,11-12,14H2,1-3H3,(H,31,35)/b35-29+;34-28+;33-27+;32-27+;31-26+;32-26+
InChIKeyHNFNSTWEMDDRKR-XWJSRWPWSA-N
MW3118.99 g/mol
LogP26.10
Rot. Bonds43

About N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide

N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide (PubChem CID 158529832) has the molecular formula C180H229N29O20 and a molecular weight of 3118.99 g/mol. Its IUPAC name is N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide.

Molecular Properties

Compound NameN-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide
PubChem CID158529832
Molecular FormulaC180H229N29O20
Molecular Weight3118.99 g/mol
Exact Mass3116.78
IUPAC NameN-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide
SMILESCCNC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.COC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.COC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(-n4cncn4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCCCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCOCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C32H43N5O3.C31H41N5O4.C30H39N5O3.C30H38N4O4.C29H36N4O4.C28H32N6O2/c1-22(2)34-31(38)25-11-13-27(14-12-25)37-28-20-30(40-18-17-36-15-5-4-6-16-36)33-21-26(28)19-29(37)35-32(39)24-9-7-23(3)8-10-24;1-21(2)33-30(37)24-8-10-26(11-9-24)36-27-19-29(40-17-14-35-12-15-39-16-13-35)32-20-25(27)18-28(36)34-31(38)23-6-4-22(3)5-7-23;1-2-31-29(36)23-11-13-25(14-12-23)35-26-20-28(38-18-17-34-15-7-4-8-16-34)32-21-24(26)19-27(35)33-30(37)22-9-5-3-6-10-22;1-21-6-8-22(9-7-21)29(35)32-27-18-24-20-31-28(38-17-16-33-14-4-3-5-15-33)19-26(24)34(27)25-12-10-23(11-13-25)30(36)37-2;1-36-29(35)22-10-12-24(13-11-22)33-25-19-27(37-17-16-32-14-6-3-7-15-32)30-20-23(25)18-26(33)31-28(34)21-8-4-2-5-9-21;1-18(2)31-27(35)21-8-11-23(12-9-21)34-25-15-24(33-17-29-16-30-33)13-10-22(25)14-26(34)32-28(36)20-6-4-19(3)5-7-20/h7-10,20-22,25,27H,4-6,11-19H2,1-3H3,(H,34,38);4-7,19-21,24,26H,8-18H2,1-3H3,(H,33,37);3,5-6,9-10,20-21,23,25H,2,4,7-8,11-19H2,1H3,(H,31,36);6-9,19-20,23,25H,3-5,10-18H2,1-2H3;2,4-5,8-9,19-20,22,24H,3,6-7,10-18H2,1H3;4-7,10,13,15-18,21,23H,8-9,11-12,14H2,1-3H3,(H,31,35)/b35-29+;34-28+;33-27+;32-27+;31-26+;32-26+
InChIKeyHNFNSTWEMDDRKR-XWJSRWPWSA-N
XLogP26.10
TPSA531.76 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds43
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003118.99
LogP ≤ 526.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide with MolForge

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Related Compounds

N-(2-amino-2-methylpropyl)-4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 157401075
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157542731
N-(cyclohexylmethyl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-fluorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157936275
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157975420
N-(2-amino-2-methylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;N-(3-morpholin-4-ylpropyl)-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 158294318
N-(2-amino-2-methylpropyl)-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide
CID 158439352
5-(4-fluorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[3-(4-methylpiperazin-1-yl)propyl]-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(piperidin-4-ylmethyl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158851980
N-(2-amino-2-methylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;N-(3-morpholin-4-ylpropyl)-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 158908487
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
N-[2-(dimethylamino)ethyl]-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-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
CID 159005180
5-(4-fluorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(1-methylpiperidin-4-yl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(piperidin-4-ylmethyl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 159181246
N-cyclohexyl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-fluorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-morpholin-4-ylphenyl)-5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(piperidin-4-ylmethyl)-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[5-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 160598378

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide?
The IUPAC name of N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide (CID 158529832) is N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide.
What is the SMILES notation for N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide?
The canonical SMILES for N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide is CCNC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.COC(=O)C1CCC(N2/C(=N/C(=O)c3ccc(C)cc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.COC(=O)C1CCC(N2/C(=N/C(=O)c3ccccc3)Cc3cnc(OCCN4CCCCC4)cc32)CC1.Cc1ccc(C(=O)/N=C2\Cc3ccc(-n4cncn4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCCCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.Cc1ccc(C(=O)/N=C2\Cc3cnc(OCCN4CCOCC4)cc3N2C2CCC(C(=O)NC(C)C)CC2)cc1.
What is the InChIKey of N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide?
The InChIKey is HNFNSTWEMDDRKR-XWJSRWPWSA-N. The full InChI is InChI=1S/C32H43N5O3.C31H41N5O4.C30H39N5O3.C30H38N4O4.C29H36N4O4.C28H32N6O2/c1-22(2)34-31(38)25-11-13-27(14-12-25)37-28-20-30(40-18-17-36-15-5-4-6-16-36)33-21-26(28)19-29(37)35-32(39)24-9-7-23(3)8-10-24;1-21(2)33-30(37)24-8-10-26(11-9-24)36-27-19-29(40-17-14-35-12-15-39-16-13-35)32-20-25(27)18-28(36)34-31(38)23-6-4-22(3)5-7-23;1-2-31-29(36)23-11-13-25(14-12-23)35-26-20-28(38-18-17-34-15-7-4-8-16-34)32-21-24(26)19-27(35)33-30(37)22-9-5-3-6-10-22;1-21-6-8-22(9-7-21)29(35)32-27-18-24-20-31-28(38-17-16-33-14-4-3-5-15-33)19-26(24)34(27)25-12-10-23(11-13-25)30(36)37-2;1-36-29(35)22-10-12-24(13-11-22)33-25-19-27(37-17-16-32-14-6-3-7-15-32)30-20-23(25)18-26(33)31-28(34)21-8-4-2-5-9-21;1-18(2)31-27(35)21-8-11-23(12-9-21)34-25-15-24(33-17-29-16-30-33)13-10-22(25)14-26(34)32-28(36)20-6-4-19(3)5-7-20/h7-10,20-22,25,27H,4-6,11-19H2,1-3H3,(H,34,38);4-7,19-21,24,26H,8-18H2,1-3H3,(H,33,37);3,5-6,9-10,20-21,23,25H,2,4,7-8,11-19H2,1H3,(H,31,36);6-9,19-20,23,25H,3-5,10-18H2,1-2H3;2,4-5,8-9,19-20,22,24H,3,6-7,10-18H2,1H3;4-7,10,13,15-18,21,23H,8-9,11-12,14H2,1-3H3,(H,31,35)/b35-29+;34-28+;33-27+;32-27+;31-26+;32-26+.
What are the key properties of N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide?
N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide has a molecular weight of 3118.99 g/mol, XLogP of 26.10, 43 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(ethylcarbamoyl)cyclohexyl]-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;methyl 4-[2-benzoylimino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;methyl 4-[2-(4-methylbenzoyl)imino-6-(2-piperidin-1-ylethoxy)-3H-pyrrolo[3,2-c]pyridin-1-yl]cyclohexane-1-carboxylate;4-methyl-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-3H-pyrrolo[3,2-c]pyridin-2-ylidene]benzamide;4-methyl-N-[1-[4-(propan-2-ylcarbamoyl)cyclohexyl]-6-(1,2,4-triazol-1-yl)-3H-indol-2-ylidene]benzamide is sourced from PubChem (CID 158529832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).