6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C92H112F4N20O10S4 — CID 162174799

IUPAC6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)CC2CF)c2c(n1)CC=C2.CCOc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2c(n1)CC=C2.CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)C(C(F)F)C3)CC1.CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)C(CF)C3)CC1
InChIInChI=1S/C24H30FN5O3S.C24H31N5O3S.C22H25F2N5O2S.C22H26FN5O2S/c1-3-33-23-12-22(18-5-4-6-20(18)28-23)30-14-19-21(11-17(30)13-25)26-15-27-24(19)16-7-9-29(10-8-16)34(2,31)32;1-4-32-23-13-22(18-6-5-7-20(18)27-23)29-14-19-21(12-16(29)2)25-15-26-24(19)17-8-10-28(11-9-17)33(3,30)31;1-32(30,31)28-9-6-14(7-10-28)21-16-12-29(19-5-8-25-17-4-2-3-15(17)19)20(22(23)24)11-18(16)26-13-27-21;1-31(29,30)27-9-6-15(7-10-27)22-18-13-28(16(12-23)11-20(18)25-14-26-22)21-5-8-24-19-4-2-3-17(19)21/h4-5,12,15-17H,3,6-11,13-14H2,1-2H3;5-6,13,15-17H,4,7-12,14H2,1-3H3;2-3,5,8,13-14,20,22H,4,6-7,9-12H2,1H3;2-3,5,8,14-16H,4,6-7,9-13H2,1H3/t;16-;;/m.1../s1
InChIKeyZOGCNKWWXFLTFZ-WMVBMBIMSA-N
MW1862.30 g/mol
LogP11.07
Rot. Bonds19

About 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 162174799) has the molecular formula C92H112F4N20O10S4 and a molecular weight of 1862.30 g/mol. Its IUPAC name is 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID162174799
Molecular FormulaC92H112F4N20O10S4
Molecular Weight1862.30 g/mol
Exact Mass1860.77
IUPAC Name6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)CC2CF)c2c(n1)CC=C2.CCOc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2c(n1)CC=C2.CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)C(C(F)F)C3)CC1.CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)C(CF)C3)CC1
InChIInChI=1S/C24H30FN5O3S.C24H31N5O3S.C22H25F2N5O2S.C22H26FN5O2S/c1-3-33-23-12-22(18-5-4-6-20(18)28-23)30-14-19-21(11-17(30)13-25)26-15-27-24(19)16-7-9-29(10-8-16)34(2,31)32;1-4-32-23-13-22(18-6-5-7-20(18)27-23)29-14-19-21(12-16(29)2)25-15-26-24(19)17-8-10-28(11-9-17)33(3,30)31;1-32(30,31)28-9-6-14(7-10-28)21-16-12-29(19-5-8-25-17-4-2-3-15(17)19)20(22(23)24)11-18(16)26-13-27-21;1-31(29,30)27-9-6-15(7-10-27)22-18-13-28(16(12-23)11-20(18)25-14-26-22)21-5-8-24-19-4-2-3-17(19)21/h4-5,12,15-17H,3,6-11,13-14H2,1-2H3;5-6,13,15-17H,4,7-12,14H2,1-3H3;2-3,5,8,13-14,20,22H,4,6-7,9-12H2,1H3;2-3,5,8,14-16H,4,6-7,9-13H2,1H3/t;16-;;/m.1../s1
InChIKeyZOGCNKWWXFLTFZ-WMVBMBIMSA-N
XLogP11.07
TPSA335.62 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001862.30
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-Bis[[3-[(4,6-difluoro-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4,6-dimethyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-[(4-propan-2-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[3-[(3-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy-9-pyrimidin-2-yl-7-[3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]benzene-2-id-1-yl]oxy-1,8-dihydrocarbazole-1,8-diide;octakis(palladium(2+))
CID 157524743
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157609237
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157646118
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);1-[4-[(6-tert-butylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone;4-tert-butyl-6-(pyrrolidin-3-ylmethyl)pyrimidine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 157664120
(7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-6-(6-methyl-7H-cyclopenta[b]pyridin-4-yl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158113288
N,N-diethyl-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-amine;1-[6-(4,4-difluoropiperidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-[2-(3-methylsulfonylazetidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;1-[6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1-oxide
CID 158500821
Methane;(2-methoxy-3-pyridinyl)boronic acid;4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4-(2-methoxy-3-pyridinyl)-2-methylsulfinyl-6-(trifluoromethyl)pyrimidine;4-(2-methoxy-3-pyridinyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine;4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 159307765
4-Tert-butyl-6-[(1-methylpiperidin-4-yl)methyl]pyrimidine;4-tert-butyl-2-(1-methylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(1-methylsulfonylpiperidin-4-yl)oxypyridine;4-tert-butyl-2-(piperidin-4-ylmethyl)pyridine;bis(1-[4-[(4-tert-butyl-2-pyridinyl)oxy]piperidin-1-yl]ethanone);4-tert-butyl-2-(pyrrolidin-3-ylmethyl)pyridine;4-tert-butyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 159542892
Deuterioethane;methane;(2-methoxy-3-pyridinyl)boronic acid;4-(2-methoxy-3-pyridinyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine;4-(2-methoxy-3-pyridinyl)-2-methylsulfinyl-6-(trifluoromethyl)pyrimidine;4-(2-methoxy-3-pyridinyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine;4-methyl-2-methylsulfanyl-6-(trifluoromethyl)pyrimidine
CID 160123893
(7R)-6-(2-cyclopropyl-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-cyclopropyloxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;methane;4-[(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-7H-cyclopenta[b]pyridine-2-carbonitrile;(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 160609529
3,6-Diethyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-difluoro-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);octakis(platinum(2+))
CID 162026224
(7R)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-6-[2-(2,2,2-trifluoroethoxy)-7H-cyclopenta[b]pyridin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 158113291

Frequently Asked Questions

What is the IUPAC name of 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 162174799) is 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCOc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)CC2CF)c2c(n1)CC=C2.CCOc1cc(N2Cc3c(ncnc3C3CCN(S(C)(=O)=O)CC3)C[C@H]2C)c2c(n1)CC=C2.CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)C(C(F)F)C3)CC1.CS(=O)(=O)N1CCC(c2ncnc3c2CN(c2ccnc4c2C=CC4)C(CF)C3)CC1.
What is the InChIKey of 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZOGCNKWWXFLTFZ-WMVBMBIMSA-N. The full InChI is InChI=1S/C24H30FN5O3S.C24H31N5O3S.C22H25F2N5O2S.C22H26FN5O2S/c1-3-33-23-12-22(18-5-4-6-20(18)28-23)30-14-19-21(11-17(30)13-25)26-15-27-24(19)16-7-9-29(10-8-16)34(2,31)32;1-4-32-23-13-22(18-6-5-7-20(18)27-23)29-14-19-21(12-16(29)2)25-15-26-24(19)17-8-10-28(11-9-17)33(3,30)31;1-32(30,31)28-9-6-14(7-10-28)21-16-12-29(19-5-8-25-17-4-2-3-15(17)19)20(22(23)24)11-18(16)26-13-27-21;1-31(29,30)27-9-6-15(7-10-27)22-18-13-28(16(12-23)11-20(18)25-14-26-22)21-5-8-24-19-4-2-3-17(19)21/h4-5,12,15-17H,3,6-11,13-14H2,1-2H3;5-6,13,15-17H,4,7-12,14H2,1-3H3;2-3,5,8,13-14,20,22H,4,6-7,9-12H2,1H3;2-3,5,8,14-16H,4,6-7,9-13H2,1H3/t;16-;;/m.1../s1.
What are the key properties of 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 1862.30 g/mol, XLogP of 11.07, 19 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7H-cyclopenta[b]pyridin-4-yl)-7-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-(fluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;(7R)-6-(2-ethoxy-7H-cyclopenta[b]pyridin-4-yl)-7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 162174799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).