(1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone

C19H26N4O — CID 71880992

IUPAC(1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cnc3c(cnn3C3CCCC3)c2)C1
InChIInChI=1S/C19H26N4O/c1-13-7-14(2)12-22(11-13)19(24)16-8-15-10-21-23(18(15)20-9-16)17-5-3-4-6-17/h8-10,13-14,17H,3-7,11-12H2,1-2H3
InChIKeyAVASJCJZEMUNPS-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.66
Rot. Bonds2

About (1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone

(1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 71880992) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID71880992
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cnc3c(cnn3C3CCCC3)c2)C1
InChIInChI=1S/C19H26N4O/c1-13-7-14(2)12-22(11-13)19(24)16-8-15-10-21-23(18(15)20-9-16)17-5-3-4-6-17/h8-10,13-14,17H,3-7,11-12H2,1-2H3
InChIKeyAVASJCJZEMUNPS-UHFFFAOYSA-N
XLogP3.66
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[4-(1-cyclopentylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]ethanone
CID 56829217
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 86917444
N-(5-chloro-2-pyridinyl)-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 51101378
[1-(5-chloro-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 165063551
(3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 62247413
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]methanone
CID 124589357
1-cyclopentyl-N-[3-[(2,6-dimethylbenzoyl)amino]-2-hydroxypropyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 166394006
N-[2-(2H-benzotriazole-5-carbonylamino)-2-methylpropyl]-1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 167784399
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 95340950
(3-phenylpyrrolidin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 146124235
(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 42929602
3-(1,3-dioxoisoindol-2-yl)propyl 1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 166205052

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 71880992) is (1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cnc3c(cnn3C3CCCC3)c2)C1.
What is the InChIKey of (1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is AVASJCJZEMUNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-7-14(2)12-22(11-13)19(24)16-8-15-10-21-23(18(15)20-9-16)17-5-3-4-6-17/h8-10,13-14,17H,3-7,11-12H2,1-2H3.
What are the key properties of (1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
(1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 326.44 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylpyrazolo[3,4-b]pyridin-5-yl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 71880992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).