5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole

C26H29FN4 — CID 146431116

IUPAC5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole
SMILESFc1ccnc(-c2ccc3c(c2)CN(CC2CC2)C3)c1-c1cnn(CC2CCCC2)c1
InChIInChI=1S/C26H29FN4/c27-24-9-10-28-26(25(24)23-12-29-31(17-23)14-18-3-1-2-4-18)20-7-8-21-15-30(13-19-5-6-19)16-22(21)11-20/h7-12,17-19H,1-6,13-16H2
InChIKeyMLWOASWDXQQWLO-UHFFFAOYSA-N
MW416.54 g/mol
LogP5.67
Rot. Bonds6

About 5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole

5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole (PubChem CID 146431116) has the molecular formula C26H29FN4 and a molecular weight of 416.54 g/mol. Its IUPAC name is 5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole
PubChem CID146431116
Molecular FormulaC26H29FN4
Molecular Weight416.54 g/mol
Exact Mass416.24
IUPAC Name5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole
SMILESFc1ccnc(-c2ccc3c(c2)CN(CC2CC2)C3)c1-c1cnn(CC2CCCC2)c1
InChIInChI=1S/C26H29FN4/c27-24-9-10-28-26(25(24)23-12-29-31(17-23)14-18-3-1-2-4-18)20-7-8-21-15-30(13-19-5-6-19)16-22(21)11-20/h7-12,17-19H,1-6,13-16H2
InChIKeyMLWOASWDXQQWLO-UHFFFAOYSA-N
XLogP5.67
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole with MolForge

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Related Compounds

5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole
CID 146431170
[4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol
CID 171906146
7-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(difluoromethoxy)-2-pyridinyl]quinoline
CID 137373638
3-[1-(cyclopentylmethyl)pyrazol-4-yl]-5-fluorobenzonitrile
CID 172990845
5-[1-(cyclobutylmethyl)pyrazol-4-yl]pyridin-2-amine
CID 166624876
4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-phenylmethoxyaniline
CID 171921778
6-[6-chloro-3-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 129282235
4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-6-methylbenzoic acid
CID 171365282
2-[4-[1-(cyclobutylmethyl)pyrazol-4-yl]phenyl]ethanamine
CID 166637784
2-[1-(cyclohexylmethyl)pyrazol-4-yl]-4-methylbenzonitrile
CID 172915473
4-(3-fluoro-4-methylphenyl)-1-(oxan-2-ylmethyl)pyrazole
CID 155276041
5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
CID 129285786

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole?
The IUPAC name of 5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole (CID 146431116) is 5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole.
What is the SMILES notation for 5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole?
The canonical SMILES for 5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole is Fc1ccnc(-c2ccc3c(c2)CN(CC2CC2)C3)c1-c1cnn(CC2CCCC2)c1.
What is the InChIKey of 5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole?
The InChIKey is MLWOASWDXQQWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4/c27-24-9-10-28-26(25(24)23-12-29-31(17-23)14-18-3-1-2-4-18)20-7-8-21-15-30(13-19-5-6-19)16-22(21)11-20/h7-12,17-19H,1-6,13-16H2.
What are the key properties of 5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole?
5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole has a molecular weight of 416.54 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole is sourced from PubChem (CID 146431116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).