2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one

C26H28N4O — CID 129301868

IUPAC2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one
SMILESCC1(Cn2cc(-c3cccnc3-c3ccc4c(c3)C(=O)N(C3CC3)C4)cn2)CCCC1
InChIInChI=1S/C26H28N4O/c1-26(10-2-3-11-26)17-29-15-20(14-28-29)22-5-4-12-27-24(22)18-6-7-19-16-30(21-8-9-21)25(31)23(19)13-18/h4-7,12-15,21H,2-3,8-11,16-17H2,1H3
InChIKeyMNDJZZOOSBDPHB-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.31
Rot. Bonds5

About 2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one

2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one (PubChem CID 129301868) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one
PubChem CID129301868
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one
SMILESCC1(Cn2cc(-c3cccnc3-c3ccc4c(c3)C(=O)N(C3CC3)C4)cn2)CCCC1
InChIInChI=1S/C26H28N4O/c1-26(10-2-3-11-26)17-29-15-20(14-28-29)22-5-4-12-27-24(22)18-6-7-19-16-30(21-8-9-21)25(31)23(19)13-18/h4-7,12-15,21H,2-3,8-11,16-17H2,1H3
InChIKeyMNDJZZOOSBDPHB-UHFFFAOYSA-N
XLogP5.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one 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

6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285848
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
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-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 142510542
6-[5,6-dimethyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3H-1,2-benzothiazole 1-oxide
CID 129301806
6-(5-amino-1H-pyrazol-4-yl)-2-cyclopropyl-3H-isoindol-1-one
CID 117388985
6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 137373565
6-[6-chloro-3-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 129282235
6-but-2-ynyl-3-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129285856
6-[3-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]-2-(cyclopropylmethyl)-3H-isoindol-1-one
CID 137373920
6-(3-chloroquinolin-7-yl)-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374153
2-methyl-7-[3-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrazol-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 137374147

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one?
The IUPAC name of 2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one (CID 129301868) is 2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one?
The canonical SMILES for 2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one is CC1(Cn2cc(-c3cccnc3-c3ccc4c(c3)C(=O)N(C3CC3)C4)cn2)CCCC1.
What is the InChIKey of 2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one?
The InChIKey is MNDJZZOOSBDPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-26(10-2-3-11-26)17-29-15-20(14-28-29)22-5-4-12-27-24(22)18-6-7-19-16-30(21-8-9-21)25(31)23(19)13-18/h4-7,12-15,21H,2-3,8-11,16-17H2,1H3.
What are the key properties of 2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one?
2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one has a molecular weight of 412.54 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-3H-isoindol-1-one is sourced from PubChem (CID 129301868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).