1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine

C104H100Cl5N17O9 — CID 159216223

IUPAC1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine
SMILESCOc1cc2c(C3CCOCC3)nn(-c3ccc(Cl)cc3)c2cn1.Cc1ccc(-n2cc(C3CCOCC3)c3ccncc32)cc1.Clc1ccc(-n2cc(C3CCOCC3)c3ccncc32)nc1.Clc1ccc(-n2cc(C3CCOCC3)c3ncncc32)cc1.Clc1ccc(-n2cc(N3CCOCC3)c3ccncc32)cc1.O=c1cc2c(C3CCOCO3)nn(-c3ccc(Cl)cc3)c2c[nH]1
InChIInChI=1S/C19H20N2O.C18H18ClN3O2.3C17H16ClN3O.C16H14ClN3O3/c1-14-2-4-16(5-3-14)21-13-18(15-7-10-22-11-8-15)17-6-9-20-12-19(17)21;1-23-17-10-15-16(11-20-17)22(14-4-2-13(19)3-5-14)21-18(15)12-6-8-24-9-7-12;18-13-1-3-14(4-2-13)21-10-15(12-5-7-22-8-6-12)17-16(21)9-19-11-20-17;18-13-1-3-14(4-2-13)21-12-17(20-7-9-22-10-8-20)15-5-6-19-11-16(15)21;18-13-1-2-17(20-9-13)21-11-15(12-4-7-22-8-5-12)14-3-6-19-10-16(14)21;17-10-1-3-11(4-2-10)20-13-8-18-15(21)7-12(13)16(19-20)14-5-6-22-9-23-14/h2-6,9,12-13,15H,7-8,10-11H2,1H3;2-5,10-12H,6-9H2,1H3;1-4,9-12H,5-8H2;1-6,11-12H,7-10H2;1-3,6,9-12H,4-5,7-8H2;1-4,7-8,14H,5-6,9H2,(H,18,21)
InChIKeyKRCJFUTYSSAWQP-UHFFFAOYSA-N
MW1909.32 g/mol
LogP22.46
Rot. Bonds13

About 1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine

1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine (PubChem CID 159216223) has the molecular formula C104H100Cl5N17O9 and a molecular weight of 1909.32 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine
PubChem CID159216223
Molecular FormulaC104H100Cl5N17O9
Molecular Weight1909.32 g/mol
Exact Mass1905.63
IUPAC Name1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine
SMILESCOc1cc2c(C3CCOCC3)nn(-c3ccc(Cl)cc3)c2cn1.Cc1ccc(-n2cc(C3CCOCC3)c3ccncc32)cc1.Clc1ccc(-n2cc(C3CCOCC3)c3ccncc32)nc1.Clc1ccc(-n2cc(C3CCOCC3)c3ncncc32)cc1.Clc1ccc(-n2cc(N3CCOCC3)c3ccncc32)cc1.O=c1cc2c(C3CCOCO3)nn(-c3ccc(Cl)cc3)c2c[nH]1
InChIInChI=1S/C19H20N2O.C18H18ClN3O2.3C17H16ClN3O.C16H14ClN3O3/c1-14-2-4-16(5-3-14)21-13-18(15-7-10-22-11-8-15)17-6-9-20-12-19(17)21;1-23-17-10-15-16(11-20-17)22(14-4-2-13(19)3-5-14)21-18(15)12-6-8-24-9-7-12;18-13-1-3-14(4-2-13)21-10-15(12-5-7-22-8-6-12)17-16(21)9-19-11-20-17;18-13-1-3-14(4-2-13)21-12-17(20-7-9-22-10-8-20)15-5-6-19-11-16(15)21;18-13-1-2-17(20-9-13)21-11-15(12-4-7-22-8-5-12)14-3-6-19-10-16(14)21;17-10-1-3-11(4-2-10)20-13-8-18-15(21)7-12(13)16(19-20)14-5-6-22-9-23-14/h2-6,9,12-13,15H,7-8,10-11H2,1H3;2-5,10-12H,6-9H2,1H3;1-4,9-12H,5-8H2;1-6,11-12H,7-10H2;1-3,6,9-12H,4-5,7-8H2;1-4,7-8,14H,5-6,9H2,(H,18,21)
InChIKeyKRCJFUTYSSAWQP-UHFFFAOYSA-N
XLogP22.46
TPSA255.53 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001909.32
LogP ≤ 522.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

2-Methoxyethyl 6-chloro-1-[4-(2-imidazol-1-ylethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methoxyethyl 6-chloro-1-[4-(2-pyrazol-1-ylethoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methoxyethyl 6-chloro-1-[4-[2-(triazol-1-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methoxyethyl 6-chloro-1-[4-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;2-methylpropyl 6-chloro-1-[4-[2-(pyridin-4-ylamino)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 157064022
1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-fluorophenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine
CID 157461612
4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;methane;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one
CID 158148430
1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[3,4-c]pyridin-4-ol;1-(4-chlorophenyl)-3-(oxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine
CID 158447542
3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate
CID 158616444
11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[(2,3-difluorophenyl)-(oxan-4-yl)methyl]-5-(3,5-dimethylimidazol-4-yl)-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(1,4-dimethylpyrazol-5-yl)-8-[(2-fluorophenyl)-(oxan-4-yl)methyl]-10-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(1,4-dimethylpyrazol-5-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-10-methoxy-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159058092
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(pyrazin-2-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(6-methylpyridazin-3-yl)methyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(pyrazin-2-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(pyrimidin-4-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-propan-2-ylphenyl)-1-(pyrimidin-4-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 159153705
4-(5-Chloro-2-pyridinyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;5-(4-methylphenyl)-2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridazin-3-one;4-[(5-methyl-2-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;4-[(6-methyl-3-pyridinyl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(5-methylpyrimidin-2-yl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;2-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-5-phenylmethoxypyridazin-3-one
CID 159227925
4-(4-chloro-2-methoxyphenyl)-1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(4-chloro-2-methoxyphenyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;4-(imidazo[1,2-a]pyridin-6-ylmethoxy)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-[9-methyl-2-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl]-4-phenylmethoxypyridin-2-one;1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-(pyrimidin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indol-7-yl)pyridin-2-one
CID 159300162
10-chloro-5-(3,5-dimethylimidazol-4-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-13-fluoro-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[[5-(1,4-dimethylpyrazol-5-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-10-yl]amino]ethanol;4-[5-(1,4-dimethylpyrazol-5-yl)-8-[oxan-4-yl(phenyl)methyl]-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-10-yl]morpholine
CID 159597877
3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;3-(1-butylpiperidin-4-yl)-1-(4-chlorophenyl)pyrazolo[5,4-c]pyridine;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate
CID 159732913
3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylpyrazolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-2-one;1-[4-(5-propan-2-yloxy-1-tritylpyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-2-one;pyrrolidin-2-one
CID 160282415

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine (CID 159216223) is 1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine is COc1cc2c(C3CCOCC3)nn(-c3ccc(Cl)cc3)c2cn1.Cc1ccc(-n2cc(C3CCOCC3)c3ccncc32)cc1.Clc1ccc(-n2cc(C3CCOCC3)c3ccncc32)nc1.Clc1ccc(-n2cc(C3CCOCC3)c3ncncc32)cc1.Clc1ccc(-n2cc(N3CCOCC3)c3ccncc32)cc1.O=c1cc2c(C3CCOCO3)nn(-c3ccc(Cl)cc3)c2c[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine?
The InChIKey is KRCJFUTYSSAWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.C18H18ClN3O2.3C17H16ClN3O.C16H14ClN3O3/c1-14-2-4-16(5-3-14)21-13-18(15-7-10-22-11-8-15)17-6-9-20-12-19(17)21;1-23-17-10-15-16(11-20-17)22(14-4-2-13(19)3-5-14)21-18(15)12-6-8-24-9-7-12;18-13-1-3-14(4-2-13)21-10-15(12-5-7-22-8-6-12)17-16(21)9-19-11-20-17;18-13-1-3-14(4-2-13)21-12-17(20-7-9-22-10-8-20)15-5-6-19-11-16(15)21;18-13-1-2-17(20-9-13)21-11-15(12-4-7-22-8-5-12)14-3-6-19-10-16(14)21;17-10-1-3-11(4-2-10)20-13-8-18-15(21)7-12(13)16(19-20)14-5-6-22-9-23-14/h2-6,9,12-13,15H,7-8,10-11H2,1H3;2-5,10-12H,6-9H2,1H3;1-4,9-12H,5-8H2;1-6,11-12H,7-10H2;1-3,6,9-12H,4-5,7-8H2;1-4,7-8,14H,5-6,9H2,(H,18,21).
What are the key properties of 1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine?
1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine has a molecular weight of 1909.32 g/mol, XLogP of 22.46, 13 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1,3-dioxan-4-yl)-6H-pyrazolo[3,4-c]pyridin-5-one;1-(4-chlorophenyl)-5-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine;1-(5-chloro-2-pyridinyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine;1-(4-methylphenyl)-3-(oxan-4-yl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 159216223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).