3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

C56H58Cl2N12O — CID 160710030

IUPAC3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
SMILESCC(C)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.CN1CCC(n2nc(-c3ccc(C#N)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1
InChIInChI=1S/C20H23ClN4.C19H19N5.C17H16ClN3O/c1-14(2)24-11-8-17(9-12-24)25-19-7-10-22-13-18(19)20(23-25)15-3-5-16(21)6-4-15;1-23-10-7-16(8-11-23)24-18-6-9-21-13-17(18)19(22-24)15-4-2-14(12-20)3-5-15;18-13-3-1-12(2-4-13)17-15-11-19-8-5-16(15)21(20-17)14-6-9-22-10-7-14/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3;2-6,9,13,16H,7-8,10-11H2,1H3;1-5,8,11,14H,6-7,9-10H2
InChIKeyRRSUHMVLTZGCCZ-UHFFFAOYSA-N
MW986.07 g/mol
LogP12.14
Rot. Bonds7

About 3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile (PubChem CID 160710030) has the molecular formula C56H58Cl2N12O and a molecular weight of 986.07 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
PubChem CID160710030
Molecular FormulaC56H58Cl2N12O
Molecular Weight986.07 g/mol
Exact Mass984.42
IUPAC Name3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
SMILESCC(C)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.CN1CCC(n2nc(-c3ccc(C#N)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1
InChIInChI=1S/C20H23ClN4.C19H19N5.C17H16ClN3O/c1-14(2)24-11-8-17(9-12-24)25-19-7-10-22-13-18(19)20(23-25)15-3-5-16(21)6-4-15;1-23-10-7-16(8-11-23)24-18-6-9-21-13-17(18)19(22-24)15-4-2-14(12-20)3-5-15;18-13-3-1-12(2-4-13)17-15-11-19-8-5-16(15)21(20-17)14-6-9-22-10-7-14/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3;2-6,9,13,16H,7-8,10-11H2,1H3;1-5,8,11,14H,6-7,9-10H2
InChIKeyRRSUHMVLTZGCCZ-UHFFFAOYSA-N
XLogP12.14
TPSA131.63 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500986.07
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile with MolForge

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Related Compounds

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
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
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
3-(4-chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-piperidin-3-ylpyrazolo[4,3-c]pyridine
CID 157930039
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
CID 158042949
8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-ethyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158205999
3-(4-Fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
CID 158238977
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-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine
CID 158339988
3-(4-Chlorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxan-4-ylmethyl)pyrazolo[4,3-c]pyridine;1-[4-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]ethanone
CID 158716834
3-(4-Chlorophenyl)-1-[1-(isocyanomethyl)piperidin-4-yl]pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrazolo[4,3-c]pyridine;3-(4-methylphenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 159368219

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
The IUPAC name of 3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile (CID 160710030) is 3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
The canonical SMILES for 3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile is CC(C)N1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.CN1CCC(n2nc(-c3ccc(C#N)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
The InChIKey is RRSUHMVLTZGCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4.C19H19N5.C17H16ClN3O/c1-14(2)24-11-8-17(9-12-24)25-19-7-10-22-13-18(19)20(23-25)15-3-5-16(21)6-4-15;1-23-10-7-16(8-11-23)24-18-6-9-21-13-17(18)19(22-24)15-4-2-14(12-20)3-5-15;18-13-3-1-12(2-4-13)17-15-11-19-8-5-16(15)21(20-17)14-6-9-22-10-7-14/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3;2-6,9,13,16H,7-8,10-11H2,1H3;1-5,8,11,14H,6-7,9-10H2.
What are the key properties of 3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?
3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile has a molecular weight of 986.07 g/mol, XLogP of 12.14, 7 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine;3-(4-chlorophenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;4-[1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 160710030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).