7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

C23H27N5O2 — CID 1077531

IUPAC7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILES[H]/N=c1\c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1
InChIInChI=1S/C23H27N5O2/c24-20-17(22(29)25-15-8-4-5-9-15)14-18-21(28(20)16-10-2-1-3-11-16)26-19-12-6-7-13-27(19)23(18)30/h6-7,12-16,24H,1-5,8-11H2,(H,25,29)/b24-20+
InChIKeyHSZQDZSTRYKMPZ-HIXSDJFHSA-N
MW405.50 g/mol
LogP3.31
Rot. Bonds3

About 7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (PubChem CID 1077531) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound Name7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
PubChem CID1077531
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILES[H]/N=c1\c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1
InChIInChI=1S/C23H27N5O2/c24-20-17(22(29)25-15-8-4-5-9-15)14-18-21(28(20)16-10-2-1-3-11-16)26-19-12-6-7-13-27(19)23(18)30/h6-7,12-16,24H,1-5,8-11H2,(H,25,29)/b24-20+
InChIKeyHSZQDZSTRYKMPZ-HIXSDJFHSA-N
XLogP3.31
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide 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-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The IUPAC name of 7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CID 1077531) is 7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
What is the SMILES notation for 7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The canonical SMILES for 7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is [H]/N=c1\c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1.
What is the InChIKey of 7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The InChIKey is HSZQDZSTRYKMPZ-HIXSDJFHSA-N. The full InChI is InChI=1S/C23H27N5O2/c24-20-17(22(29)25-15-8-4-5-9-15)14-18-21(28(20)16-10-2-1-3-11-16)26-19-12-6-7-13-27(19)23(18)30/h6-7,12-16,24H,1-5,8-11H2,(H,25,29)/b24-20+.
What are the key properties of 7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-N-cyclopentyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is sourced from PubChem (CID 1077531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).