7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one

C26H25N7O — CID 146967893

IUPAC7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCC4)n1)CC2
InChIInChI=1S/C26H25N7O/c1-16-12-18-9-11-33(23-5-2-4-20(28-23)25-30-29-24-6-3-10-32(24)25)26(34)19(18)13-22(16)31-14-21(27-15-31)17-7-8-17/h2,4-5,12-15,17H,3,6-11H2,1H3
InChIKeyALVZSCABVSOAJT-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.86
Rot. Bonds4

About 7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one

7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 146967893) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID146967893
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCC4)n1)CC2
InChIInChI=1S/C26H25N7O/c1-16-12-18-9-11-33(23-5-2-4-20(28-23)25-30-29-24-6-3-10-32(24)25)26(34)19(18)13-22(16)31-14-21(27-15-31)17-7-8-17/h2,4-5,12-15,17H,3,6-11H2,1H3
InChIKeyALVZSCABVSOAJT-UHFFFAOYSA-N
XLogP3.86
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one (CID 146967893) is 7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one is Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCC4)n1)CC2.
What is the InChIKey of 7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is ALVZSCABVSOAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c1-16-12-18-9-11-33(23-5-2-4-20(28-23)25-30-29-24-6-3-10-32(24)25)26(34)19(18)13-22(16)31-14-21(27-15-31)17-7-8-17/h2,4-5,12-15,17H,3,6-11H2,1H3.
What are the key properties of 7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one?
7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 451.53 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-6-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 146967893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).