4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine

C37H40ClN9O2 — CID 129216983

IUPAC4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
SMILESCN(C)C(=O)N1CCC(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Cc1ccc(-n2nc(C3CNCCO3)c3ccncc32)cc1
InChIInChI=1S/C20H22ClN5O.C17H18N4O/c1-24(2)20(27)25-11-8-14(9-12-25)19-17-7-10-22-13-18(17)26(23-19)16-5-3-15(21)4-6-16;1-12-2-4-13(5-3-12)21-15-10-18-7-6-14(15)17(20-21)16-11-19-8-9-22-16/h3-7,10,13-14H,8-9,11-12H2,1-2H3;2-7,10,16,19H,8-9,11H2,1H3
InChIKeyMKZMZSGXAPIXMS-UHFFFAOYSA-N
MW678.24 g/mol
LogP6.32
Rot. Bonds4

About 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine

4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine (PubChem CID 129216983) has the molecular formula C37H40ClN9O2 and a molecular weight of 678.24 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
PubChem CID129216983
Molecular FormulaC37H40ClN9O2
Molecular Weight678.24 g/mol
Exact Mass677.30
IUPAC Name4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
SMILESCN(C)C(=O)N1CCC(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Cc1ccc(-n2nc(C3CNCCO3)c3ccncc32)cc1
InChIInChI=1S/C20H22ClN5O.C17H18N4O/c1-24(2)20(27)25-11-8-14(9-12-25)19-17-7-10-22-13-18(17)26(23-19)16-5-3-15(21)4-6-16;1-12-2-4-13(5-3-12)21-15-10-18-7-6-14(15)17(20-21)16-11-19-8-9-22-16/h3-7,10,13-14H,8-9,11-12H2,1-2H3;2-7,10,16,19H,8-9,11H2,1H3
InChIKeyMKZMZSGXAPIXMS-UHFFFAOYSA-N
XLogP6.32
TPSA106.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.24
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?
The IUPAC name of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine (CID 129216983) is 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine is CN(C)C(=O)N1CCC(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.Cc1ccc(-n2nc(C3CNCCO3)c3ccncc32)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?
The InChIKey is MKZMZSGXAPIXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O.C17H18N4O/c1-24(2)20(27)25-11-8-14(9-12-25)19-17-7-10-22-13-18(17)26(23-19)16-5-3-15(21)4-6-16;1-12-2-4-13(5-3-12)21-15-10-18-7-6-14(15)17(20-21)16-11-19-8-9-22-16/h3-7,10,13-14H,8-9,11-12H2,1-2H3;2-7,10,16,19H,8-9,11H2,1H3.
What are the key properties of 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?
4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine has a molecular weight of 678.24 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;2-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine is sourced from PubChem (CID 129216983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).