6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one

C21H22N6O — CID 165437157

IUPAC6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NC3CC(c4ccc(-n5cccn5)cc4)NN3)ccc2N1
InChIInChI=1S/C21H22N6O/c28-21-9-4-15-12-16(5-8-18(15)24-21)23-20-13-19(25-26-20)14-2-6-17(7-3-14)27-11-1-10-22-27/h1-3,5-8,10-12,19-20,23,25-26H,4,9,13H2,(H,24,28)
InChIKeyMQSCAKJCNBGVML-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.73
Rot. Bonds4

About 6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one

6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 165437157) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID165437157
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NC3CC(c4ccc(-n5cccn5)cc4)NN3)ccc2N1
InChIInChI=1S/C21H22N6O/c28-21-9-4-15-12-16(5-8-18(15)24-21)23-20-13-19(25-26-20)14-2-6-17(7-3-14)27-11-1-10-22-27/h1-3,5-8,10-12,19-20,23,25-26H,4,9,13H2,(H,24,28)
InChIKeyMQSCAKJCNBGVML-UHFFFAOYSA-N
XLogP2.73
TPSA83.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

N-(4-((5-(4-(1H-pyrazol-1-yl)phenyl)-4-fluoro-1H-pyrazol-3-yl)amino)-3-methylphenyl)acetamide
CID 166594346
N-(4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenyl)-3-chloropropanamide
CID 166594301
5-ethyl-7-(3-pyrazol-1-ylphenyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 78103953
N-(4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenyl)acetamide
CID 166594276
N-(4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenyl)-3-morpholinopropanamide
CID 166594302
1-(4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenyl)-3-methylurea
CID 166594325
methyl (4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenyl)carbamate
CID 166594326
ethyl (4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenyl)carbamate
CID 166594327
N-(4-((5-(4-(1H-pyrazol-1-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenyl)isobutyramide
CID 166594345
cis-(1S,2S)-2-[4-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile
CID 138403382
1-ethyl-6-[[(2S)-4-pyrazol-1-ylbutan-2-yl]amino]-3,4-dihydroquinolin-2-one
CID 97831696
6-[[4-fluoro-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 139391757

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 165437157) is 6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(NC3CC(c4ccc(-n5cccn5)cc4)NN3)ccc2N1.
What is the InChIKey of 6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MQSCAKJCNBGVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c28-21-9-4-15-12-16(5-8-18(15)24-21)23-20-13-19(25-26-20)14-2-6-17(7-3-14)27-11-1-10-22-27/h1-3,5-8,10-12,19-20,23,25-26H,4,9,13H2,(H,24,28).
What are the key properties of 6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 374.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-pyrazol-1-ylphenyl)pyrazolidin-3-yl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 165437157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).