N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

C20H14ClFN4O2 — CID 16801791

IUPACN-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C20H14ClFN4O2/c1-25-10-14(19(27)23-12-7-8-17(22)16(21)9-12)18-15(11-25)20(28)26(24-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,27)
InChIKeyQGJGZGUMXHIPOG-UHFFFAOYSA-N
MW396.81 g/mol
LogP3.72
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 16801791) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID16801791
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C20H14ClFN4O2/c1-25-10-14(19(27)23-12-7-8-17(22)16(21)9-12)18-15(11-25)20(28)26(24-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,27)
InChIKeyQGJGZGUMXHIPOG-UHFFFAOYSA-N
XLogP3.72
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 16801791) is N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is Cn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is QGJGZGUMXHIPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c1-25-10-14(19(27)23-12-7-8-17(22)16(21)9-12)18-15(11-25)20(28)26(24-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 396.81 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 16801791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).