7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one

C19H18N6O — CID 42626003

IUPAC7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one
SMILESO=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ncccc3n12
InChIInChI=1S/C19H18N6O/c26-19-24-15-11-6-12-20-16(15)22-17(21-13-7-4-5-8-13)18(24)23-25(19)14-9-2-1-3-10-14/h1-3,6,9-13H,4-5,7-8H2,(H,20,21,22)
InChIKeyNWDKFYOWSMUWPD-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.78
Rot. Bonds3

About 7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one

7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one (PubChem CID 42626003) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one.

Molecular Properties

Compound Name7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one
PubChem CID42626003
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one
SMILESO=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ncccc3n12
InChIInChI=1S/C19H18N6O/c26-19-24-15-11-6-12-20-16(15)22-17(21-13-7-4-5-8-13)18(24)23-25(19)14-9-2-1-3-10-14/h1-3,6,9-13H,4-5,7-8H2,(H,20,21,22)
InChIKeyNWDKFYOWSMUWPD-UHFFFAOYSA-N
XLogP2.78
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-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-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one?
The IUPAC name of 7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one (CID 42626003) is 7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one.
What is the SMILES notation for 7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one?
The canonical SMILES for 7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one is O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ncccc3n12.
What is the InChIKey of 7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one?
The InChIKey is NWDKFYOWSMUWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c26-19-24-15-11-6-12-20-16(15)22-17(21-13-7-4-5-8-13)18(24)23-25(19)14-9-2-1-3-10-14/h1-3,6,9-13H,4-5,7-8H2,(H,20,21,22).
What are the key properties of 7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one?
7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one has a molecular weight of 346.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylamino)-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one is sourced from PubChem (CID 42626003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).