2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one

C21H17N7O — CID 135351020

IUPAC2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one
SMILESO=C1c2ccc(-c3ccn[nH]3)cc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C21H17N7O/c29-21-16-7-4-13(17-8-9-22-25-17)10-14(16)11-27(21)19-3-1-2-18(24-19)20-26-23-12-28(20)15-5-6-15/h1-4,7-10,12,15H,5-6,11H2,(H,22,25)
InChIKeySDAPXQWSZMVMHF-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.23
Rot. Bonds4

About 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one

2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one (PubChem CID 135351020) has the molecular formula C21H17N7O and a molecular weight of 383.42 g/mol. Its IUPAC name is 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one
PubChem CID135351020
Molecular FormulaC21H17N7O
Molecular Weight383.42 g/mol
Exact Mass383.15
IUPAC Name2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one
SMILESO=C1c2ccc(-c3ccn[nH]3)cc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C21H17N7O/c29-21-16-7-4-13(17-8-9-22-25-17)10-14(16)11-27(21)19-3-1-2-18(24-19)20-26-23-12-28(20)15-5-6-15/h1-4,7-10,12,15H,5-6,11H2,(H,22,25)
InChIKeySDAPXQWSZMVMHF-UHFFFAOYSA-N
XLogP3.23
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one?
The IUPAC name of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one (CID 135351020) is 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one is O=C1c2ccc(-c3ccn[nH]3)cc2CN1c1cccc(-c2nncn2C2CC2)n1.
What is the InChIKey of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one?
The InChIKey is SDAPXQWSZMVMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O/c29-21-16-7-4-13(17-8-9-22-25-17)10-14(16)11-27(21)19-3-1-2-18(24-19)20-26-23-12-28(20)15-5-6-15/h1-4,7-10,12,15H,5-6,11H2,(H,22,25).
What are the key properties of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one?
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one has a molecular weight of 383.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(1H-pyrazol-5-yl)-3H-isoindol-1-one is sourced from PubChem (CID 135351020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).