7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one

C27H24FN7O — CID 152932542

IUPAC7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one
SMILESCc1cc2c(F)cn(-c3cccc(-c4nnc5n4CCCC5)n3)c(=O)c2cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C27H24FN7O/c1-16-11-18-19(12-23(16)33-14-22(29-15-33)17-8-9-17)27(36)35(13-20(18)28)24-7-4-5-21(30-24)26-32-31-25-6-2-3-10-34(25)26/h4-5,7,11-15,17H,2-3,6,8-10H2,1H3
InChIKeyULGDZGGJYQFVFS-UHFFFAOYSA-N
MW481.54 g/mol
LogP4.49
Rot. Bonds4

About 7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one

7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one (PubChem CID 152932542) has the molecular formula C27H24FN7O and a molecular weight of 481.54 g/mol. Its IUPAC name is 7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one.

Molecular Properties

Compound Name7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one
PubChem CID152932542
Molecular FormulaC27H24FN7O
Molecular Weight481.54 g/mol
Exact Mass481.20
IUPAC Name7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one
SMILESCc1cc2c(F)cn(-c3cccc(-c4nnc5n4CCCC5)n3)c(=O)c2cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C27H24FN7O/c1-16-11-18-19(12-23(16)33-14-22(29-15-33)17-8-9-17)27(36)35(13-20(18)28)24-7-4-5-21(30-24)26-32-31-25-6-2-3-10-34(25)26/h4-5,7,11-15,17H,2-3,6,8-10H2,1H3
InChIKeyULGDZGGJYQFVFS-UHFFFAOYSA-N
XLogP4.49
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-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 7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one?
The IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one (CID 152932542) is 7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one.
What is the SMILES notation for 7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one?
The canonical SMILES for 7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one is Cc1cc2c(F)cn(-c3cccc(-c4nnc5n4CCCC5)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one?
The InChIKey is ULGDZGGJYQFVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O/c1-16-11-18-19(12-23(16)33-14-22(29-15-33)17-8-9-17)27(36)35(13-20(18)28)24-7-4-5-21(30-24)26-32-31-25-6-2-3-10-34(25)26/h4-5,7,11-15,17H,2-3,6,8-10H2,1H3.
What are the key properties of 7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one?
7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one has a molecular weight of 481.54 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylimidazol-1-yl)-4-fluoro-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]isoquinolin-1-one is sourced from PubChem (CID 152932542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).