5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole

C27H31FN4 — CID 146431170

IUPAC5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole
SMILESCc1ccc(-c2cnn(CC3CCCC3)c2F)c(-c2ccc3c(c2)CN(CC2CC2)C3)n1
InChIInChI=1S/C27H31FN4/c1-18-6-11-24(25-13-29-32(27(25)28)15-19-4-2-3-5-19)26(30-18)21-9-10-22-16-31(14-20-7-8-20)17-23(22)12-21/h6,9-13,19-20H,2-5,7-8,14-17H2,1H3
InChIKeyFBLJIEPVYZUCHA-UHFFFAOYSA-N
MW430.57 g/mol
LogP5.98
Rot. Bonds6

About 5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole

5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole (PubChem CID 146431170) has the molecular formula C27H31FN4 and a molecular weight of 430.57 g/mol. Its IUPAC name is 5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole
PubChem CID146431170
Molecular FormulaC27H31FN4
Molecular Weight430.57 g/mol
Exact Mass430.25
IUPAC Name5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole
SMILESCc1ccc(-c2cnn(CC3CCCC3)c2F)c(-c2ccc3c(c2)CN(CC2CC2)C3)n1
InChIInChI=1S/C27H31FN4/c1-18-6-11-24(25-13-29-32(27(25)28)15-19-4-2-3-5-19)26(30-18)21-9-10-22-16-31(14-20-7-8-20)17-23(22)12-21/h6,9-13,19-20H,2-5,7-8,14-17H2,1H3
InChIKeyFBLJIEPVYZUCHA-UHFFFAOYSA-N
XLogP5.98
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole with MolForge

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Related Compounds

5-[3-[1-(cyclopentylmethyl)pyrazol-4-yl]-4-fluoro-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole
CID 146431116
6-[3-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-3H-isoindol-1-one
CID 137373920
2-[(4-chlorocycloheptyl)methyl]-4-(2-fluoro-6-methyl-3-pyridinyl)-6,7-dimethylphthalazin-1-one
CID 166865303
6-[6-chloro-3-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 129282235
1-(cyclohexylmethyl)-6-methylpyrazolo[3,4-d]pyrimidine
CID 172599943
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927179
2-(cyclopentylmethyl)-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 171523042
[4-[1-(cyclohexylmethyl)-5-methyl-4-phenylpyrazol-3-yl]-3-fluorophenyl]methanamine
CID 174639079
7-[3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]-6-methyl-2-pyridinyl]quinoline
CID 137372448
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861
2-(cyclopropylmethyl)-5-methylpyridazin-3-one
CID 131020040
1-(cyclobutylmethyl)-4-iodo-5-methylpyrazole
CID 175686716

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole?
The IUPAC name of 5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole (CID 146431170) is 5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole.
What is the SMILES notation for 5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole?
The canonical SMILES for 5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole is Cc1ccc(-c2cnn(CC3CCCC3)c2F)c(-c2ccc3c(c2)CN(CC2CC2)C3)n1.
What is the InChIKey of 5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole?
The InChIKey is FBLJIEPVYZUCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4/c1-18-6-11-24(25-13-29-32(27(25)28)15-19-4-2-3-5-19)26(30-18)21-9-10-22-16-31(14-20-7-8-20)17-23(22)12-21/h6,9-13,19-20H,2-5,7-8,14-17H2,1H3.
What are the key properties of 5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole?
5-[3-[1-(cyclopentylmethyl)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole has a molecular weight of 430.57 g/mol, XLogP of 5.98, 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)-5-fluoropyrazol-4-yl]-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-1,3-dihydroisoindole is sourced from PubChem (CID 146431170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).