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

C23H18N6O — CID 135351043

IUPAC2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one
SMILESO=C1c2cc(-c3ccncc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C23H18N6O/c30-23-19-12-16(15-8-10-24-11-9-15)4-5-17(19)13-28(23)21-3-1-2-20(26-21)22-27-25-14-29(22)18-6-7-18/h1-5,8-12,14,18H,6-7,13H2
InChIKeyGJQZLSTUXBSYKO-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.90
Rot. Bonds4

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

2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one (PubChem CID 135351043) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one
PubChem CID135351043
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one
SMILESO=C1c2cc(-c3ccncc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1
InChIInChI=1S/C23H18N6O/c30-23-19-12-16(15-8-10-24-11-9-15)4-5-17(19)13-28(23)21-3-1-2-20(26-21)22-27-25-14-29(22)18-6-7-18/h1-5,8-12,14,18H,6-7,13H2
InChIKeyGJQZLSTUXBSYKO-UHFFFAOYSA-N
XLogP3.90
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]benzoic acid
CID 146559529
2-[4-[2-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]phenyl]-2-methylpropanoic acid
CID 160651334
methyl 4-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoate
CID 146559663
5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-4,5-dihydrothieno[2,3-c]pyrrol-6-one
CID 161302352
2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one
CID 153305365
6-(4-chloro-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(1-cyclopropylpyrazol-4-yl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;6-(6-cyclopropyl-3-pyridinyl)-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-fluoro-3-pyridinyl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(2-methylpyrimidin-5-yl)-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrimidin-5-yl-3H-isoindol-1-one
CID 158651609
2-fluoro-5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid
CID 146559614
5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one
CID 157296043
5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole
CID 139307706
2-[6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 157038799
2-(hydroxymethyl)-5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid
CID 146559644
3-isocyano-5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid
CID 149204421

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one?
The IUPAC name of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one (CID 135351043) is 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one.
What is the SMILES notation for 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one?
The canonical SMILES for 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one is O=C1c2cc(-c3ccncc3)ccc2CN1c1cccc(-c2nncn2C2CC2)n1.
What is the InChIKey of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one?
The InChIKey is GJQZLSTUXBSYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c30-23-19-12-16(15-8-10-24-11-9-15)4-5-17(19)13-28(23)21-3-1-2-20(26-21)22-27-25-14-29(22)18-6-7-18/h1-5,8-12,14,18H,6-7,13H2.
What are the key properties of 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one?
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one has a molecular weight of 394.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 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]-6-pyridin-4-yl-3H-isoindol-1-one is sourced from PubChem (CID 135351043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).