6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one

C27H22N8O — CID 46893372

IUPAC6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one
SMILESCN1CCc2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ccccn3)cc2C1
InChIInChI=1S/C27H22N8O/c1-33-13-11-17-9-10-19(14-18(17)16-33)30-27-29-15-21-24(32-27)31-25-20-6-2-3-7-22(20)34(35(25)26(21)36)23-8-4-5-12-28-23/h2-10,12,14-15H,11,13,16H2,1H3,(H,29,30,32)
InChIKeyWPFUZJHILYNHRJ-UHFFFAOYSA-N
MW474.53 g/mol
LogP3.71
Rot. Bonds3

About 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one

6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one (PubChem CID 46893372) has the molecular formula C27H22N8O and a molecular weight of 474.53 g/mol. Its IUPAC name is 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one.

Molecular Properties

Compound Name6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one
PubChem CID46893372
Molecular FormulaC27H22N8O
Molecular Weight474.53 g/mol
Exact Mass474.19
IUPAC Name6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one
SMILESCN1CCc2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ccccn3)cc2C1
InChIInChI=1S/C27H22N8O/c1-33-13-11-17-9-10-19(14-18(17)16-33)30-27-29-15-21-24(32-27)31-25-20-6-2-3-7-22(20)34(35(25)26(21)36)23-8-4-5-12-28-23/h2-10,12,14-15H,11,13,16H2,1H3,(H,29,30,32)
InChIKeyWPFUZJHILYNHRJ-UHFFFAOYSA-N
XLogP3.71
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-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 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one?
The IUPAC name of 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one (CID 46893372) is 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one.
What is the SMILES notation for 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one?
The canonical SMILES for 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one is CN1CCc2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ccccn3)cc2C1.
What is the InChIKey of 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one?
The InChIKey is WPFUZJHILYNHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N8O/c1-33-13-11-17-9-10-19(14-18(17)16-33)30-27-29-15-21-24(32-27)31-25-20-6-2-3-7-22(20)34(35(25)26(21)36)23-8-4-5-12-28-23/h2-10,12,14-15H,11,13,16H2,1H3,(H,29,30,32).
What are the key properties of 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one?
6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one has a molecular weight of 474.53 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-17-pyridin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one is sourced from PubChem (CID 46893372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).