N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C15H20N4O3 — CID 111471069

IUPACN-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2O)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C15H20N4O3/c1-8-6-10(12-13(17-8)19(2)18-15(12)22)14(21)16-7-9-4-3-5-11(9)20/h6,9,11,20H,3-5,7H2,1-2H3,(H,16,21)(H,18,22)
InChIKeyDJNVXHFTKNTBAB-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.46
Rot. Bonds3

About N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 111471069) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID111471069
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCC2O)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C15H20N4O3/c1-8-6-10(12-13(17-8)19(2)18-15(12)22)14(21)16-7-9-4-3-5-11(9)20/h6,9,11,20H,3-5,7H2,1-2H3,(H,16,21)(H,18,22)
InChIKeyDJNVXHFTKNTBAB-UHFFFAOYSA-N
XLogP0.46
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 111471069) is N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCC2CCCC2O)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is DJNVXHFTKNTBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-8-6-10(12-13(17-8)19(2)18-15(12)22)14(21)16-7-9-4-3-5-11(9)20/h6,9,11,20H,3-5,7H2,1-2H3,(H,16,21)(H,18,22).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 111471069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).