N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

C16H12FN5O2 — CID 136875010

IUPACN-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCn1ncc2c(=O)c(C(=O)N[C@@H](C#N)c3ccccc3F)c[nH]c21
InChIInChI=1S/C16H12FN5O2/c1-22-15-10(8-20-22)14(23)11(7-19-15)16(24)21-13(6-18)9-4-2-3-5-12(9)17/h2-5,7-8,13H,1H3,(H,19,23)(H,21,24)/t13-/m0/s1
InChIKeyLLJRAHLJPISLGK-ZDUSSCGKSA-N
MW325.30 g/mol
LogP1.40
Rot. Bonds3

About N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 136875010) has the molecular formula C16H12FN5O2 and a molecular weight of 325.30 g/mol. Its IUPAC name is N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID136875010
Molecular FormulaC16H12FN5O2
Molecular Weight325.30 g/mol
Exact Mass325.10
IUPAC NameN-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCn1ncc2c(=O)c(C(=O)N[C@@H](C#N)c3ccccc3F)c[nH]c21
InChIInChI=1S/C16H12FN5O2/c1-22-15-10(8-20-22)14(23)11(7-19-15)16(24)21-13(6-18)9-4-2-3-5-12(9)17/h2-5,7-8,13H,1H3,(H,19,23)(H,21,24)/t13-/m0/s1
InChIKeyLLJRAHLJPISLGK-ZDUSSCGKSA-N
XLogP1.40
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 136875010) is N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is Cn1ncc2c(=O)c(C(=O)N[C@@H](C#N)c3ccccc3F)c[nH]c21.
What is the InChIKey of N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is LLJRAHLJPISLGK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H12FN5O2/c1-22-15-10(8-20-22)14(23)11(7-19-15)16(24)21-13(6-18)9-4-2-3-5-12(9)17/h2-5,7-8,13H,1H3,(H,19,23)(H,21,24)/t13-/m0/s1.
What are the key properties of N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 325.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(2-fluorophenyl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 136875010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).