1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile

C19H23N5O — CID 166415736

IUPAC1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile
SMILESCC(C)n1ncc2c(C(=O)N3CCCCC3C#N)cc(C3CC3)nc21
InChIInChI=1S/C19H23N5O/c1-12(2)24-18-16(11-21-24)15(9-17(22-18)13-6-7-13)19(25)23-8-4-3-5-14(23)10-20/h9,11-14H,3-8H2,1-2H3
InChIKeyWRUMTAOGTUQHLK-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.41
Rot. Bonds3

About 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile

1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile (PubChem CID 166415736) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile
PubChem CID166415736
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile
SMILESCC(C)n1ncc2c(C(=O)N3CCCCC3C#N)cc(C3CC3)nc21
InChIInChI=1S/C19H23N5O/c1-12(2)24-18-16(11-21-24)15(9-17(22-18)13-6-7-13)19(25)23-8-4-3-5-14(23)10-20/h9,11-14H,3-8H2,1-2H3
InChIKeyWRUMTAOGTUQHLK-UHFFFAOYSA-N
XLogP3.41
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 17440231
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490883
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 17458792
1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-4-pyrrolidin-1-ylbutan-1-one
CID 167646867
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39580979
(2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 126454534
(2R)-1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537313
(4-amino-3,3-dimethylpiperidin-1-yl)-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120815555
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 78885056
[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 110887010
6-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111333171
(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 155946152

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile?
The IUPAC name of 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile (CID 166415736) is 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile.
What is the SMILES notation for 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile?
The canonical SMILES for 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile is CC(C)n1ncc2c(C(=O)N3CCCCC3C#N)cc(C3CC3)nc21.
What is the InChIKey of 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile?
The InChIKey is WRUMTAOGTUQHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12(2)24-18-16(11-21-24)15(9-17(22-18)13-6-7-13)19(25)23-8-4-3-5-14(23)10-20/h9,11-14H,3-8H2,1-2H3.
What are the key properties of 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile?
1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carbonitrile is sourced from PubChem (CID 166415736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).