6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

C26H26FN5O — CID 129285848

IUPAC6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC1(Cn2cc(-c3ccc(C#N)nc3-c3ccc4c(c3)C(=O)N(CCF)C4)cn2)CCCC1
InChIInChI=1S/C26H26FN5O/c1-26(8-2-3-9-26)17-32-16-20(14-29-32)22-7-6-21(13-28)30-24(22)18-4-5-19-15-31(11-10-27)25(33)23(19)12-18/h4-7,12,14,16H,2-3,8-11,15,17H2,1H3
InChIKeyWOSZRSGJBQASGY-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.99
Rot. Bonds6

About 6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile

6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 129285848) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is 6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID129285848
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
SMILESCC1(Cn2cc(-c3ccc(C#N)nc3-c3ccc4c(c3)C(=O)N(CCF)C4)cn2)CCCC1
InChIInChI=1S/C26H26FN5O/c1-26(8-2-3-9-26)17-32-16-20(14-29-32)22-7-6-21(13-28)30-24(22)18-4-5-19-15-31(11-10-27)25(33)23(19)12-18/h4-7,12,14,16H,2-3,8-11,15,17H2,1H3
InChIKeyWOSZRSGJBQASGY-UHFFFAOYSA-N
XLogP4.99
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3-oxo-1H-isoindol-2-yl]propanenitrile
CID 129285901
6-(1,1-dimethyl-3-oxo-2H-isoindol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137371251
6-[2-(cyclopropylmethyl)-3-oxo-1H-isoindol-5-yl]-3-fluoro-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285778
2-(2-methoxyethyl)-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-3H-isoindol-1-one
CID 129301907
6-(2-chloro-1-methylbenzimidazol-5-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374374
6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374153
6-chloro-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285789
2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one
CID 129301868
6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 142510542
5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
CID 129285786
5-[1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]pyrazol-4-yl]-6-(1,2-dimethylbenzimidazol-5-yl)pyridine-2-carbonitrile
CID 137390006
2-methyl-6-[6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]indazole
CID 137373976

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile (CID 129285848) is 6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is CC1(Cn2cc(-c3ccc(C#N)nc3-c3ccc4c(c3)C(=O)N(CCF)C4)cn2)CCCC1.
What is the InChIKey of 6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is WOSZRSGJBQASGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-26(8-2-3-9-26)17-32-16-20(14-29-32)22-7-6-21(13-28)30-24(22)18-4-5-19-15-31(11-10-27)25(33)23(19)12-18/h4-7,12,14,16H,2-3,8-11,15,17H2,1H3.
What are the key properties of 6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile?
6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 443.53 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 129285848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).