[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one

C133H146N24O8 — CID 161342365

IUPAC[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCC(=O)Cc1cccc(CC(=O)c2ccc(CCc3[nH]nc4ccnc(NC5CCCCC5)c34)cc2)c1.O=C(CCc1[nH]nc2cc[nH]c(=O)c12)N1CCC[C@H](c2ccccc2)C1.O=C(Cc1ccc2nccnc2c1)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.O=C(Cc1ccncc1)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.O=C(c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1)N1CCOCC1
InChIInChI=1S/C31H34N4O2.C30H30N6O.C27H29N5O.C25H31N5O2.C20H22N4O2/c1-21(36)18-23-6-5-7-24(19-23)20-29(37)25-13-10-22(11-14-25)12-15-27-30-28(35-34-27)16-17-32-31(30)33-26-8-3-2-4-9-26;37-28(19-21-9-12-24-27(18-21)32-17-16-31-24)22-10-6-20(7-11-22)8-13-25-29-26(36-35-25)14-15-33-30(29)34-23-4-2-1-3-5-23;33-25(18-20-12-15-28-16-13-20)21-9-6-19(7-10-21)8-11-23-26-24(32-31-23)14-17-29-27(26)30-22-4-2-1-3-5-22;31-25(30-14-16-32-17-15-30)19-9-6-18(7-10-19)8-11-21-23-22(29-28-21)12-13-26-24(23)27-20-4-2-1-3-5-20;25-18(9-8-16-19-17(23-22-16)10-11-21-20(19)26)24-12-4-7-15(13-24)14-5-2-1-3-6-14/h5-7,10-11,13-14,16-17,19,26H,2-4,8-9,12,15,18,20H2,1H3,(H,32,33)(H,34,35);6-7,9-12,14-18,23H,1-5,8,13,19H2,(H,33,34)(H,35,36);6-7,9-10,12-17,22H,1-5,8,11,18H2,(H,29,30)(H,31,32);6-7,9-10,12-13,20H,1-5,8,11,14-17H2,(H,26,27)(H,28,29);1-3,5-6,10-11,15H,4,7-9,12-13H2,(H,21,26)(H,22,23)/t;;;;15-/m....0/s1
InChIKeyVMVMHSBKDWRNAK-ATCWZHPCSA-N
MW2208.79 g/mol
LogP23.76
Rot. Bonds36

About [4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one

[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 161342365) has the molecular formula C133H146N24O8 and a molecular weight of 2208.79 g/mol. Its IUPAC name is [4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID161342365
Molecular FormulaC133H146N24O8
Molecular Weight2208.79 g/mol
Exact Mass2207.18
IUPAC Name[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one
SMILESCC(=O)Cc1cccc(CC(=O)c2ccc(CCc3[nH]nc4ccnc(NC5CCCCC5)c34)cc2)c1.O=C(CCc1[nH]nc2cc[nH]c(=O)c12)N1CCC[C@H](c2ccccc2)C1.O=C(Cc1ccc2nccnc2c1)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.O=C(Cc1ccncc1)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.O=C(c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1)N1CCOCC1
InChIInChI=1S/C31H34N4O2.C30H30N6O.C27H29N5O.C25H31N5O2.C20H22N4O2/c1-21(36)18-23-6-5-7-24(19-23)20-29(37)25-13-10-22(11-14-25)12-15-27-30-28(35-34-27)16-17-32-31(30)33-26-8-3-2-4-9-26;37-28(19-21-9-12-24-27(18-21)32-17-16-31-24)22-10-6-20(7-11-22)8-13-25-29-26(36-35-25)14-15-33-30(29)34-23-4-2-1-3-5-23;33-25(18-20-12-15-28-16-13-20)21-9-6-19(7-10-21)8-11-23-26-24(32-31-23)14-17-29-27(26)30-22-4-2-1-3-5-22;31-25(30-14-16-32-17-15-30)19-9-6-18(7-10-19)8-11-21-23-22(29-28-21)12-13-26-24(23)27-20-4-2-1-3-5-20;25-18(9-8-16-19-17(23-22-16)10-11-21-20(19)26)24-12-4-7-15(13-24)14-5-2-1-3-6-14/h5-7,10-11,13-14,16-17,19,26H,2-4,8-9,12,15,18,20H2,1H3,(H,32,33)(H,34,35);6-7,9-12,14-18,23H,1-5,8,13,19H2,(H,33,34)(H,35,36);6-7,9-10,12-17,22H,1-5,8,11,18H2,(H,29,30)(H,31,32);6-7,9-10,12-13,20H,1-5,8,11,14-17H2,(H,26,27)(H,28,29);1-3,5-6,10-11,15H,4,7-9,12-13H2,(H,21,26)(H,22,23)/t;;;;15-/m....0/s1
InChIKeyVMVMHSBKDWRNAK-ATCWZHPCSA-N
XLogP23.76
TPSA432.74 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002208.79
LogP ≤ 523.76
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze [4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one with MolForge

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[4-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butanoyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide
CID 168269721
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[9-[1-[2-[2-[2-[2-[2-[2-[2-[[2-(2-imino-4-oxocyclohexyl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]nonyl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide
CID 177643118
5-[7-(difluoromethyl)-3-[1-[5-[7-(difluoromethyl)-3-[1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]ethyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]ethyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,7-dimethyl-1H-pyrrolo[2,3-c]pyridine-3-carboxamide
CID 132181501
3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
2-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,5-dimethylpyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 138655261
5-(5-amino-3-pyridinyl)-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethoxyethane
CID 157154090
N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157155219
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 157157559
5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
CID 157192628
N-[4-(cyclopropanecarbonylamino)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-(3-fluorophenyl)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[4-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 157356698
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-phenyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157404544
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157458865

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of [4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one (CID 161342365) is [4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for [4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for [4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one is CC(=O)Cc1cccc(CC(=O)c2ccc(CCc3[nH]nc4ccnc(NC5CCCCC5)c34)cc2)c1.O=C(CCc1[nH]nc2cc[nH]c(=O)c12)N1CCC[C@H](c2ccccc2)C1.O=C(Cc1ccc2nccnc2c1)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.O=C(Cc1ccncc1)c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1.O=C(c1ccc(CCc2[nH]nc3ccnc(NC4CCCCC4)c23)cc1)N1CCOCC1.
What is the InChIKey of [4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is VMVMHSBKDWRNAK-ATCWZHPCSA-N. The full InChI is InChI=1S/C31H34N4O2.C30H30N6O.C27H29N5O.C25H31N5O2.C20H22N4O2/c1-21(36)18-23-6-5-7-24(19-23)20-29(37)25-13-10-22(11-14-25)12-15-27-30-28(35-34-27)16-17-32-31(30)33-26-8-3-2-4-9-26;37-28(19-21-9-12-24-27(18-21)32-17-16-31-24)22-10-6-20(7-11-22)8-13-25-29-26(36-35-25)14-15-33-30(29)34-23-4-2-1-3-5-23;33-25(18-20-12-15-28-16-13-20)21-9-6-19(7-10-21)8-11-23-26-24(32-31-23)14-17-29-27(26)30-22-4-2-1-3-5-22;31-25(30-14-16-32-17-15-30)19-9-6-18(7-10-19)8-11-21-23-22(29-28-21)12-13-26-24(23)27-20-4-2-1-3-5-20;25-18(9-8-16-19-17(23-22-16)10-11-21-20(19)26)24-12-4-7-15(13-24)14-5-2-1-3-6-14/h5-7,10-11,13-14,16-17,19,26H,2-4,8-9,12,15,18,20H2,1H3,(H,32,33)(H,34,35);6-7,9-12,14-18,23H,1-5,8,13,19H2,(H,33,34)(H,35,36);6-7,9-10,12-17,22H,1-5,8,11,18H2,(H,29,30)(H,31,32);6-7,9-10,12-13,20H,1-5,8,11,14-17H2,(H,26,27)(H,28,29);1-3,5-6,10-11,15H,4,7-9,12-13H2,(H,21,26)(H,22,23)/t;;;;15-/m....0/s1.
What are the key properties of [4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one?
[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 2208.79 g/mol, XLogP of 23.76, 36 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-morpholin-4-ylmethanone;1-[3-[2-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-oxoethyl]phenyl]propan-2-one;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-pyridin-4-ylethanone;1-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]-2-quinoxalin-6-ylethanone;3-[3-oxo-3-[(3R)-3-phenylpiperidin-1-yl]propyl]-2,5-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 161342365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).