3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C27H22N4O — CID 134307220

IUPAC3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C3=CCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C27H22N4O/c1-17-23(21-13-14-22-20(16-21)12-7-15-28-22)27(32)31-26(29-17)24(18-8-5-6-9-18)25(30-31)19-10-3-2-4-11-19/h2-4,7-8,10-16,30H,5-6,9H2,1H3
InChIKeyPKJPAIXEDKYHBV-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.78
Rot. Bonds3

About 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134307220) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134307220
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C3=CCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C27H22N4O/c1-17-23(21-13-14-22-20(16-21)12-7-15-28-22)27(32)31-26(29-17)24(18-8-5-6-9-18)25(30-31)19-10-3-2-4-11-19/h2-4,7-8,10-16,30H,5-6,9H2,1H3
InChIKeyPKJPAIXEDKYHBV-UHFFFAOYSA-N
XLogP5.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one
CID 135567454
8-Methyl-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 5273070
2-phenyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 6884203
5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one
CID 135567453
2-(4-fluorophenyl)-8-methyl-5H-pyrazolo[4,3-c]quinolin-3-one
CID 5273072
2-(2-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 145983744
N-[[4-(dimethylamino)benzylidene]amino]quinoline-3-carboxamide
CID 5771657
3-(2-aminoquinazolin-6-yl)-4-methyl-1-phenylpyridin-2(1H)-one
CID 24879306
3-(cyclohexen-1-yl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305904
5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307251
5-methyl-2,3-diphenyl-6-(quinolin-6-yl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307474
3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307487

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134307220) is 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(C3=CCCC3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1.
What is the InChIKey of 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PKJPAIXEDKYHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c1-17-23(21-13-14-22-20(16-21)12-7-15-28-22)27(32)31-26(29-17)24(18-8-5-6-9-18)25(30-31)19-10-3-2-4-11-19/h2-4,7-8,10-16,30H,5-6,9H2,1H3.
What are the key properties of 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 418.50 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenten-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134307220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).