7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline

C24H22F2N4O — CID 137373638

IUPAC7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline
SMILESFC(F)Oc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C24H22F2N4O/c25-24(26)31-22-10-9-20(19-13-28-30(15-19)14-16-4-1-2-5-16)23(29-22)18-8-7-17-6-3-11-27-21(17)12-18/h3,6-13,15-16,24H,1-2,4-5,14H2
InChIKeyDBCHFGRKSHPDLJ-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.95
Rot. Bonds6

About 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline

7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline (PubChem CID 137373638) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline.

Molecular Properties

Compound Name7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline
PubChem CID137373638
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC Name7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline
SMILESFC(F)Oc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3cccnc3c2)n1
InChIInChI=1S/C24H22F2N4O/c25-24(26)31-22-10-9-20(19-13-28-30(15-19)14-16-4-1-2-5-16)23(29-22)18-8-7-17-6-3-11-27-21(17)12-18/h3,6-13,15-16,24H,1-2,4-5,14H2
InChIKeyDBCHFGRKSHPDLJ-UHFFFAOYSA-N
XLogP5.95
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
CID 137372448
6-quinolin-7-yl-5-[1-(spiro[2.2]pentan-2-ylmethyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 151401083
7-[3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-pyridinyl]quinoline
CID 137374115
7-[6-isocyano-3-[1-(2-methylpropyl)pyrazol-4-yl]-2-pyridinyl]quinoline
CID 162502519
5-[1-(2,2-difluoro-3-hydroxy-3-methylbutyl)pyrazol-4-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
CID 151465416
3,3-difluoro-4-[4-(6-isocyano-2-quinolin-7-yl-3-pyridinyl)pyrazol-1-yl]-2-methylbutan-2-ol
CID 162502564
5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
CID 129285786
6-[6-chloro-3-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 129282235
7-[1-(cyclohexylmethyl)indol-2-yl]quinoline
CID 175958700
5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole
CID 146431116
2-chloro-3-[1-[[(3S)-3-fluorocyclopentyl]methyl]pyrazol-4-yl]pyridine
CID 137388705
5-[1-(cyclobutylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid
CID 172677644

Frequently Asked Questions

What is the IUPAC name of 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline?
The IUPAC name of 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline (CID 137373638) is 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline.
What is the SMILES notation for 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline?
The canonical SMILES for 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline is FC(F)Oc1ccc(-c2cnn(CC3CCCC3)c2)c(-c2ccc3cccnc3c2)n1.
What is the InChIKey of 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline?
The InChIKey is DBCHFGRKSHPDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c25-24(26)31-22-10-9-20(19-13-28-30(15-19)14-16-4-1-2-5-16)23(29-22)18-8-7-17-6-3-11-27-21(17)12-18/h3,6-13,15-16,24H,1-2,4-5,14H2.
What are the key properties of 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline?
7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline has a molecular weight of 420.46 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline is sourced from PubChem (CID 137373638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).