1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile

C24H27N5O — CID 46986531

IUPAC1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile
SMILESCc1cc(C)c2c(C(=O)N3CCC(C#N)CC3)cc(-c3cnn(C(C)C)c3)nc2c1
InChIInChI=1S/C24H27N5O/c1-15(2)29-14-19(13-26-29)21-11-20(23-17(4)9-16(3)10-22(23)27-21)24(30)28-7-5-18(12-25)6-8-28/h9-11,13-15,18H,5-8H2,1-4H3
InChIKeyBQSIPQSPZHPXBV-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.67
Rot. Bonds3

About 1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile

1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile (PubChem CID 46986531) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile
PubChem CID46986531
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile
SMILESCc1cc(C)c2c(C(=O)N3CCC(C#N)CC3)cc(-c3cnn(C(C)C)c3)nc2c1
InChIInChI=1S/C24H27N5O/c1-15(2)29-14-19(13-26-29)21-11-20(23-17(4)9-16(3)10-22(23)27-21)24(30)28-7-5-18(12-25)6-8-28/h9-11,13-15,18H,5-8H2,1-4H3
InChIKeyBQSIPQSPZHPXBV-UHFFFAOYSA-N
XLogP4.67
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46991473
azepan-1-yl-[5,7-dimethyl-2-[2-(methylamino)pyrimidin-5-yl]quinolin-4-yl]methanone
CID 46992558
[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46996230
[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46994345
[2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95047130
[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 95046617
1-(2,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064705
1-(3,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064706
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46988948
N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 46997967
[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45171328
1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile
CID 45180937

Frequently Asked Questions

What is the IUPAC name of 1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile (CID 46986531) is 1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile is Cc1cc(C)c2c(C(=O)N3CCC(C#N)CC3)cc(-c3cnn(C(C)C)c3)nc2c1.
What is the InChIKey of 1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile?
The InChIKey is BQSIPQSPZHPXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-15(2)29-14-19(13-26-29)21-11-20(23-17(4)9-16(3)10-22(23)27-21)24(30)28-7-5-18(12-25)6-8-28/h9-11,13-15,18H,5-8H2,1-4H3.
What are the key properties of 1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile?
1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile has a molecular weight of 401.51 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile is sourced from PubChem (CID 46986531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).