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

C26H23N5O2 — CID 165410623

IUPAC2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)CN(c1cc(-c3ccccc3-c3nncn3C)cc(C3CC3)n1)C2=O
InChIInChI=1S/C26H23N5O2/c1-30-15-27-29-25(30)22-6-4-3-5-20(22)17-12-23(16-7-8-16)28-24(13-17)31-14-18-11-19(33-2)9-10-21(18)26(31)32/h3-6,9-13,15-16H,7-8,14H2,1-2H3
InChIKeyBGQOKZZYDHJSEC-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.59
Rot. Bonds5

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

2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one (PubChem CID 165410623) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one
PubChem CID165410623
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1)CN(c1cc(-c3ccccc3-c3nncn3C)cc(C3CC3)n1)C2=O
InChIInChI=1S/C26H23N5O2/c1-30-15-27-29-25(30)22-6-4-3-5-20(22)17-12-23(16-7-8-16)28-24(13-17)31-14-18-11-19(33-2)9-10-21(18)26(31)32/h3-6,9-13,15-16H,7-8,14H2,1-2H3
InChIKeyBGQOKZZYDHJSEC-UHFFFAOYSA-N
XLogP4.59
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one with MolForge

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Related Compounds

4-[2-cyclopropyl-6-[5-[(2R)-2-hydroxy-3-(methylamino)propoxy]-3-oxo-1H-isoindol-2-yl]-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
CID 165410896
2-[6-cyclopropyl-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-4-fluoro-6-(hydroxymethyl)-3H-isoindol-1-one
CID 165411412
2-[6-cyclopropyl-4-[4-isocyano-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-6-[[(2S)-1-methoxypropan-2-yl]oxymethyl]-3H-isoindol-1-one
CID 176869547
4-[2-[5-[(1S)-1-(cyclobutylmethylamino)ethyl]-3-oxo-1H-isoindol-2-yl]-6-cyclopropyl-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
CID 165410839
4-[2-[5-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]-6-cyclopropyl-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
CID 165411376
4-[2-[5-[(3S,5R)-5-cyclobutylmorpholin-3-yl]-3-oxo-1H-isoindol-2-yl]-6-cyclopropyl-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
CID 165410792
4-[2-cyclopropyl-6-[3-oxo-5-[(2-propan-2-yloxyethylamino)methyl]-1H-isoindol-2-yl]-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
CID 165410849
4-[2-cyclopropyl-6-[5-[[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
CID 165411413
4-[2-cyclopropyl-6-[5-(hydroxymethyl)-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
CID 165410801
2-[6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 157038799
4-[2-[5-[(2-cyclobutylpropan-2-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]-6-cyclopropyl-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
CID 165411221
4-[2-[7-bromo-5-[(2-methoxyethylamino)methyl]-3-oxo-1H-isoindol-2-yl]-6-cyclopropyl-4-pyridinyl]-3-(4-methyl-1,2,4-triazol-3-yl)benzonitrile
CID 165410735

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one?
The IUPAC name of 2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one (CID 165410623) is 2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one?
The canonical SMILES for 2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one is COc1ccc2c(c1)CN(c1cc(-c3ccccc3-c3nncn3C)cc(C3CC3)n1)C2=O.
What is the InChIKey of 2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one?
The InChIKey is BGQOKZZYDHJSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-30-15-27-29-25(30)22-6-4-3-5-20(22)17-12-23(16-7-8-16)28-24(13-17)31-14-18-11-19(33-2)9-10-21(18)26(31)32/h3-6,9-13,15-16H,7-8,14H2,1-2H3.
What are the key properties of 2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one?
2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one has a molecular weight of 437.50 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclopropyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]-5-methoxy-3H-isoindol-1-one is sourced from PubChem (CID 165410623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).