4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide

C25H25N7O4 — CID 24995637

IUPAC4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-n2nc(C3(C#N)CCN(C(=O)N(C)O)CC3)c(C#N)c2-c2ccc(OC)nc2)cc1
InChIInChI=1S/C25H25N7O4/c1-30(34)24(33)31-12-10-25(16-27,11-13-31)23-20(14-26)22(17-4-9-21(36-3)28-15-17)32(29-23)18-5-7-19(35-2)8-6-18/h4-9,15,34H,10-13H2,1-3H3
InChIKeyKQVXGRXPSXKAPO-UHFFFAOYSA-N
MW487.52 g/mol
LogP3.12
Rot. Bonds5

About 4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide

4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide (PubChem CID 24995637) has the molecular formula C25H25N7O4 and a molecular weight of 487.52 g/mol. Its IUPAC name is 4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
PubChem CID24995637
Molecular FormulaC25H25N7O4
Molecular Weight487.52 g/mol
Exact Mass487.20
IUPAC Name4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-n2nc(C3(C#N)CCN(C(=O)N(C)O)CC3)c(C#N)c2-c2ccc(OC)nc2)cc1
InChIInChI=1S/C25H25N7O4/c1-30(34)24(33)31-12-10-25(16-27,11-13-31)23-20(14-26)22(17-4-9-21(36-3)28-15-17)32(29-23)18-5-7-19(35-2)8-6-18/h4-9,15,34H,10-13H2,1-3H3
InChIKeyKQVXGRXPSXKAPO-UHFFFAOYSA-N
XLogP3.12
TPSA140.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide (CID 24995637) is 4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide is COc1ccc(-n2nc(C3(C#N)CCN(C(=O)N(C)O)CC3)c(C#N)c2-c2ccc(OC)nc2)cc1.
What is the InChIKey of 4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The InChIKey is KQVXGRXPSXKAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O4/c1-30(34)24(33)31-12-10-25(16-27,11-13-31)23-20(14-26)22(17-4-9-21(36-3)28-15-17)32(29-23)18-5-7-19(35-2)8-6-18/h4-9,15,34H,10-13H2,1-3H3.
What are the key properties of 4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide has a molecular weight of 487.52 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-[4-cyano-1-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 24995637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).