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

C69H68Cl3FN14O2 — CID 157169767

IUPAC3-(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
SMILESCN1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1.Clc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1.Fc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1
InChIInChI=1S/C18H19ClN4.C17H17ClN4.C17H16ClN3O.C17H16FN3O/c1-22-10-7-15(8-11-22)23-17-6-9-20-12-16(17)18(21-23)13-2-4-14(19)5-3-13;18-13-3-1-12(2-4-13)17-15-11-20-10-7-16(15)22(21-17)14-5-8-19-9-6-14;2*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/h2-6,9,12,15H,7-8,10-11H2,1H3;1-4,7,10-11,14,19H,5-6,8-9H2;2*1-5,8,11,14H,6-7,9-10H2
InChIKeyANIDJDQMTIASAU-UHFFFAOYSA-N
MW1250.76 g/mol
LogP15.39
Rot. Bonds8

About 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

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 (PubChem CID 157169767) has the molecular formula C69H68Cl3FN14O2 and a molecular weight of 1250.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID157169767
Molecular FormulaC69H68Cl3FN14O2
Molecular Weight1250.76 g/mol
Exact Mass1248.47
IUPAC Name3-(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
SMILESCN1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1.Clc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1.Fc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1
InChIInChI=1S/C18H19ClN4.C17H17ClN4.C17H16ClN3O.C17H16FN3O/c1-22-10-7-15(8-11-22)23-17-6-9-20-12-16(17)18(21-23)13-2-4-14(19)5-3-13;18-13-3-1-12(2-4-13)17-15-11-20-10-7-16(15)22(21-17)14-5-8-19-9-6-14;2*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/h2-6,9,12,15H,7-8,10-11H2,1H3;1-4,7,10-11,14,19H,5-6,8-9H2;2*1-5,8,11,14H,6-7,9-10H2
InChIKeyANIDJDQMTIASAU-UHFFFAOYSA-N
XLogP15.39
TPSA156.57 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms89
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001250.76
LogP ≤ 515.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC(n2nc(-c3ccc(Cl)cc3)c3cnccc32)CC1.Clc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1.Clc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1.Fc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1.
What is the InChIKey of 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?
The InChIKey is ANIDJDQMTIASAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4.C17H17ClN4.C17H16ClN3O.C17H16FN3O/c1-22-10-7-15(8-11-22)23-17-6-9-20-12-16(17)18(21-23)13-2-4-14(19)5-3-13;18-13-3-1-12(2-4-13)17-15-11-20-10-7-16(15)22(21-17)14-5-8-19-9-6-14;2*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/h2-6,9,12,15H,7-8,10-11H2,1H3;1-4,7,10-11,14,19H,5-6,8-9H2;2*1-5,8,11,14H,6-7,9-10H2.
What are the key properties of 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?
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 has a molecular weight of 1250.76 g/mol, XLogP of 15.39, 8 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157169767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).