3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone

C52H50Cl3N11O2 — CID 160523395

IUPAC3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(C3CCCNC3)c3ccncc23)cc1.Clc1ccc(-c2nn([C@H]3CCOC3)c3ccncc23)cc1
InChIInChI=1S/C19H19ClN4O.C17H17ClN4.C16H14ClN3O/c1-13(25)23-10-7-16(8-11-23)24-18-6-9-21-12-17(18)19(22-24)14-2-4-15(20)5-3-14;18-13-5-3-12(4-6-13)17-15-11-20-9-7-16(15)22(21-17)14-2-1-8-19-10-14;17-12-3-1-11(2-4-12)16-14-9-18-7-5-15(14)20(19-16)13-6-8-21-10-13/h2-6,9,12,16H,7-8,10-11H2,1H3;3-7,9,11,14,19H,1-2,8,10H2;1-5,7,9,13H,6,8,10H2/t;;13-/m..0/s1
InChIKeyQUOSGYAMDIGGII-LZVLKHNHSA-N
MW967.41 g/mol
LogP11.32
Rot. Bonds6

About 3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone

3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone (PubChem CID 160523395) has the molecular formula C52H50Cl3N11O2 and a molecular weight of 967.41 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone
PubChem CID160523395
Molecular FormulaC52H50Cl3N11O2
Molecular Weight967.41 g/mol
Exact Mass965.32
IUPAC Name3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(C3CCCNC3)c3ccncc23)cc1.Clc1ccc(-c2nn([C@H]3CCOC3)c3ccncc23)cc1
InChIInChI=1S/C19H19ClN4O.C17H17ClN4.C16H14ClN3O/c1-13(25)23-10-7-16(8-11-23)24-18-6-9-21-12-17(18)19(22-24)14-2-4-15(20)5-3-14;18-13-5-3-12(4-6-13)17-15-11-20-9-7-16(15)22(21-17)14-2-1-8-19-10-14;17-12-3-1-11(2-4-12)16-14-9-18-7-5-15(14)20(19-16)13-6-8-21-10-13/h2-6,9,12,16H,7-8,10-11H2,1H3;3-7,9,11,14,19H,1-2,8,10H2;1-5,7,9,13H,6,8,10H2/t;;13-/m..0/s1
InChIKeyQUOSGYAMDIGGII-LZVLKHNHSA-N
XLogP11.32
TPSA133.70 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500967.41
LogP ≤ 511.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-[3-[4-chloro-3-[2-[4-chloro-3-[(pyridin-2-ylmethylamino)methyl]phenyl]ethynyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide
CID 59780587
1-[3-(4-chlorophenyl)-1-[3-[4-(2-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-ylethylamino)propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 68462274
2-[3-[4-chloro-3-[4-chloro-3-[(pyridin-2-ylmethylamino)methyl]phenyl]phenyl]-1-[3-[(3S)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide
CID 71081982
N-benzyl-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide;N-[(4-chlorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide;N-[(4-fluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide
CID 156405826
3-(4-Chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 157169767
1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 157194427
carbanide;4-[4-chloro-6-(2-methylpyrazol-3-yl)-2-pyridinyl]-1H-indole;4-(4,6-dichloro-2-pyridinyl)-1H-indole;(3R)-4-[2-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)-4-pyridinyl]-3-methylmorpholine;methane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole;2,4,6-trichloropyridine;tungsten
CID 157313318
3-(4-Chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 157486476
3-(4-Chlorophenyl)-1-(1-ethylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine
CID 157526876
N-[(4-chlorophenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(2-methoxyethyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-4-(4-methylpiperazin-1-yl)-2H-pyrazolo[4,3-c]pyridine;3-methyl-N-(oxan-4-yl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(2-pyridin-2-ylethyl)-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 157800175
3-(4-Chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-methylphenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 157817994
3-(4-Chlorophenyl)-1-(4-methylcyclohexyl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 157841632

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone (CID 160523395) is 3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(C3CCCNC3)c3ccncc23)cc1.Clc1ccc(-c2nn([C@H]3CCOC3)c3ccncc23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is QUOSGYAMDIGGII-LZVLKHNHSA-N. The full InChI is InChI=1S/C19H19ClN4O.C17H17ClN4.C16H14ClN3O/c1-13(25)23-10-7-16(8-11-23)24-18-6-9-21-12-17(18)19(22-24)14-2-4-15(20)5-3-14;18-13-5-3-12(4-6-13)17-15-11-20-9-7-16(15)22(21-17)14-2-1-8-19-10-14;17-12-3-1-11(2-4-12)16-14-9-18-7-5-15(14)20(19-16)13-6-8-21-10-13/h2-6,9,12,16H,7-8,10-11H2,1H3;3-7,9,11,14,19H,1-2,8,10H2;1-5,7,9,13H,6,8,10H2/t;;13-/m..0/s1.
What are the key properties of 3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone?
3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 967.41 g/mol, XLogP of 11.32, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 160523395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).