N-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H16ClFN4O — CID 134801325

IUPACN-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccc(Cl)cc3)cc(-c3cccc(F)c3)nc21
InChIInChI=1S/C21H16ClFN4O/c1-27-20-18(12-25-27)17(10-19(26-20)14-3-2-4-16(23)9-14)21(28)24-11-13-5-7-15(22)8-6-13/h2-10,12H,11H2,1H3,(H,24,28)
InChIKeyKHFGZYDIWUQRSP-UHFFFAOYSA-N
MW394.84 g/mol
LogP4.36
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134801325) has the molecular formula C21H16ClFN4O and a molecular weight of 394.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134801325
Molecular FormulaC21H16ClFN4O
Molecular Weight394.84 g/mol
Exact Mass394.10
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCc3ccc(Cl)cc3)cc(-c3cccc(F)c3)nc21
InChIInChI=1S/C21H16ClFN4O/c1-27-20-18(12-25-27)17(10-19(26-20)14-3-2-4-16(23)9-14)21(28)24-11-13-5-7-15(22)8-6-13/h2-10,12H,11H2,1H3,(H,24,28)
InChIKeyKHFGZYDIWUQRSP-UHFFFAOYSA-N
XLogP4.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134801325) is N-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCc3ccc(Cl)cc3)cc(-c3cccc(F)c3)nc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KHFGZYDIWUQRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O/c1-27-20-18(12-25-27)17(10-19(26-20)14-3-2-4-16(23)9-14)21(28)24-11-13-5-7-15(22)8-6-13/h2-10,12H,11H2,1H3,(H,24,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 394.84 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134801325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).