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

C27H27N7O — CID 149337214

IUPAC7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCCC4)n1)CC2
InChIInChI=1S/C27H27N7O/c1-17-13-19-10-12-34(27(35)20(19)14-23(17)32-15-22(28-16-32)18-8-9-18)24-7-4-5-21(29-24)26-31-30-25-6-2-3-11-33(25)26/h4-5,7,13-16,18H,2-3,6,8-12H2,1H3
InChIKeyYDMAVUBRXNNZMA-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.25
Rot. Bonds4

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

7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 149337214) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one
PubChem CID149337214
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCCC4)n1)CC2
InChIInChI=1S/C27H27N7O/c1-17-13-19-10-12-34(27(35)20(19)14-23(17)32-15-22(28-16-32)18-8-9-18)24-7-4-5-21(29-24)26-31-30-25-6-2-3-11-33(25)26/h4-5,7,13-16,18H,2-3,6,8-12H2,1H3
InChIKeyYDMAVUBRXNNZMA-UHFFFAOYSA-N
XLogP4.25
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-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)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one (CID 149337214) is 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one is Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCCC4)n1)CC2.
What is the InChIKey of 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is YDMAVUBRXNNZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-17-13-19-10-12-34(27(35)20(19)14-23(17)32-15-22(28-16-32)18-8-9-18)24-7-4-5-21(29-24)26-31-30-25-6-2-3-11-33(25)26/h4-5,7,13-16,18H,2-3,6,8-12H2,1H3.
What are the key properties of 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one?
7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 465.56 g/mol, XLogP of 4.25, 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)-6-methyl-2-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 149337214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).