N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

C17H20N6O2 — CID 136521179

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCn1ncc2c(=O)c(C(=O)NCc3ccn(C4CCCC4)n3)c[nH]c21
InChIInChI=1S/C17H20N6O2/c1-22-16-13(10-20-22)15(24)14(9-18-16)17(25)19-8-11-6-7-23(21-11)12-4-2-3-5-12/h6-7,9-10,12H,2-5,8H2,1H3,(H,18,24)(H,19,25)
InChIKeyUOPWSXQZFZRDEF-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.50
Rot. Bonds4

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 136521179) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID136521179
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCn1ncc2c(=O)c(C(=O)NCc3ccn(C4CCCC4)n3)c[nH]c21
InChIInChI=1S/C17H20N6O2/c1-22-16-13(10-20-22)15(24)14(9-18-16)17(25)19-8-11-6-7-23(21-11)12-4-2-3-5-12/h6-7,9-10,12H,2-5,8H2,1H3,(H,18,24)(H,19,25)
InChIKeyUOPWSXQZFZRDEF-UHFFFAOYSA-N
XLogP1.50
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 136521179) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is Cn1ncc2c(=O)c(C(=O)NCc3ccn(C4CCCC4)n3)c[nH]c21.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is UOPWSXQZFZRDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-22-16-13(10-20-22)15(24)14(9-18-16)17(25)19-8-11-6-7-23(21-11)12-4-2-3-5-12/h6-7,9-10,12H,2-5,8H2,1H3,(H,18,24)(H,19,25).
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-methyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 136521179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).