[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone

C15H20N4O — CID 166191038

IUPAC[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Cn1ncc2cc(C(=O)N3CCCC3)cnc21
InChIInChI=1S/C15H20N4O/c1-11(2)10-19-14-12(9-17-19)7-13(8-16-14)15(20)18-5-3-4-6-18/h7-9,11H,3-6,10H2,1-2H3
InChIKeyUFIZUFCZFZHWDY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.32
Rot. Bonds3

About [1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone

[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 166191038) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID166191038
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)Cn1ncc2cc(C(=O)N3CCCC3)cnc21
InChIInChI=1S/C15H20N4O/c1-11(2)10-19-14-12(9-17-19)7-13(8-16-14)15(20)18-5-3-4-6-18/h7-9,11H,3-6,10H2,1-2H3
InChIKeyUFIZUFCZFZHWDY-UHFFFAOYSA-N
XLogP2.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 124589357
1-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 126769097
N-methyl-N-[2-[methyl-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]ethyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 166204525
N-[(2R)-2-(dimethylamino)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 95280574
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 109381046
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120943720
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-1-yl)methanone
CID 78836734
ethyl 4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazine-1-carboxylate
CID 18132052
N-(1H-indazol-5-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 51100658
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 166194053
[1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78862511
N-(2-aminoethyl)-1-(2-methylpropyl)-N-(2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120886892

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone (CID 166191038) is [1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone is CC(C)Cn1ncc2cc(C(=O)N3CCCC3)cnc21.
What is the InChIKey of [1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UFIZUFCZFZHWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)10-19-14-12(9-17-19)7-13(8-16-14)15(20)18-5-3-4-6-18/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone?
[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 272.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 166191038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).