4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile

C25H22N6O — CID 175014991

IUPAC4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(C(=O)N3CCCC(N)C3)nn2-c2ccc3ncccc3c2)cc1
InChIInChI=1S/C25H22N6O/c26-15-17-5-7-18(8-6-17)24-14-23(25(32)30-12-2-4-20(27)16-30)29-31(24)21-9-10-22-19(13-21)3-1-11-28-22/h1,3,5-11,13-14,20H,2,4,12,16,27H2
InChIKeyJQTRRTJXBURQOD-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.52
Rot. Bonds3

About 4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile

4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile (PubChem CID 175014991) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile
PubChem CID175014991
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(C(=O)N3CCCC(N)C3)nn2-c2ccc3ncccc3c2)cc1
InChIInChI=1S/C25H22N6O/c26-15-17-5-7-18(8-6-17)24-14-23(25(32)30-12-2-4-20(27)16-30)29-31(24)21-9-10-22-19(13-21)3-1-11-28-22/h1,3,5-11,13-14,20H,2,4,12,16,27H2
InChIKeyJQTRRTJXBURQOD-UHFFFAOYSA-N
XLogP3.52
TPSA100.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(4-methylphenyl)pyrazol-5-yl]benzonitrile
CID 138473561
4-[3-[(3R)-3-aminopiperidine-1-carbonyl]-1-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrazol-5-yl]benzonitrile
CID 142544607
4-[1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(methylamino)piperidine-1-carbonyl]pyrazol-5-yl]benzonitrile
CID 175014437
4-[3-[(3R)-3-(dimethylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrazol-5-yl]benzonitrile
CID 142544570
(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119378655
[(3R)-1-[5-(4-cyanophenyl)-1-(4-cyclopropylphenyl)pyrazole-3-carbonyl]piperidin-3-yl]carbamic acid
CID 138473592
4-[3-[(3R)-3-aminoazepane-1-carbonyl]-1-(2-fluoro-4-piperidin-1-ylphenyl)pyrazol-5-yl]-2-fluorobenzonitrile
CID 142544585
4-[3-(3-aminopiperidine-1-carbonyl)-1-(4-cyclopropyl-2-fluorophenyl)pyrazol-5-yl]-2-fluorobenzonitrile
CID 155483792
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
4-[3-[(3R)-3-aminopiperidine-1-carbonyl]-1-(2-methoxy-4-pyrrolidin-1-ylphenyl)pyrazol-5-yl]-2-fluorobenzonitrile
CID 138489305
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119379377

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile (CID 175014991) is 4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile is N#Cc1ccc(-c2cc(C(=O)N3CCCC(N)C3)nn2-c2ccc3ncccc3c2)cc1.
What is the InChIKey of 4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile?
The InChIKey is JQTRRTJXBURQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c26-15-17-5-7-18(8-6-17)24-14-23(25(32)30-12-2-4-20(27)16-30)29-31(24)21-9-10-22-19(13-21)3-1-11-28-22/h1,3,5-11,13-14,20H,2,4,12,16,27H2.
What are the key properties of 4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile?
4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile has a molecular weight of 422.49 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile is sourced from PubChem (CID 175014991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).