7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one

C26H27N7O — CID 135307247

IUPAC7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)CC2
InChIInChI=1S/C26H27N7O/c1-16(2)33-15-28-30-25(33)21-5-4-6-24(29-21)32-10-9-19-11-17(3)23(12-20(19)26(32)34)31-13-22(27-14-31)18-7-8-18/h4-6,11-16,18H,7-10H2,1-3H3
InChIKeyHUMHHOMYRXBBQR-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.50
Rot. Bonds5

About 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one

7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 135307247) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one
PubChem CID135307247
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)CC2
InChIInChI=1S/C26H27N7O/c1-16(2)33-15-28-30-25(33)21-5-4-6-24(29-21)32-10-9-19-11-17(3)23(12-20(19)26(32)34)31-13-22(27-14-31)18-7-8-18/h4-6,11-16,18H,7-10H2,1-3H3
InChIKeyHUMHHOMYRXBBQR-UHFFFAOYSA-N
XLogP4.50
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one with MolForge

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Related Compounds

Selonsertib
CID 71245288
(5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
CID 153572417
MpsBAY2a
CID 57381882
2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide
CID 137639212
US11136324, Example 10
CID 142417486
7-[(2-Methylimidazol-1-yl)methyl]-2-[(2-methylpyridin-4-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 147934765
7-[(2-Methylimidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-(pyridin-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 153238800
2-[(4-Ethylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-7-[(2-methylimidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 153572297
7-[(2-Methylimidazol-1-yl)methyl]-2-[(4-methylpyridin-2-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 153572325
7-[(2-Methylimidazol-1-yl)methyl]-2-[(6-methylpyridin-2-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 153572508
7-[(2-Methylimidazol-1-yl)methyl]-2-[(3-methylpyridin-2-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydroisoquinolin-1-one
CID 153572565
2-[6-[4-[(2S)-butan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-6-(dimethylamino)-4-(methylaminomethyl)-3H-isoindol-1-one
CID 157038858

Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one (CID 135307247) is 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one is Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)CC2.
What is the InChIKey of 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is HUMHHOMYRXBBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-16(2)33-15-28-30-25(33)21-5-4-6-24(29-21)32-10-9-19-11-17(3)23(12-20(19)26(32)34)31-13-22(27-14-31)18-7-8-18/h4-6,11-16,18H,7-10H2,1-3H3.
What are the key properties of 7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one?
7-(4-cyclopropylimidazol-1-yl)-6-methyl-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 453.55 g/mol, XLogP of 4.50, 5 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-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 135307247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).