2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one

C24H25N9O — CID 166746640

IUPAC2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one
SMILESCN1C(=O)C(Cc2ccccn2)N(C2CCCC2)c2nc(Nc3ccc4n[nH]nc4c3)ncc21
InChIInChI=1S/C24H25N9O/c1-32-21-14-26-24(27-16-9-10-18-19(12-16)30-31-29-18)28-22(21)33(17-7-2-3-8-17)20(23(32)34)13-15-6-4-5-11-25-15/h4-6,9-12,14,17,20H,2-3,7-8,13H2,1H3,(H,26,27,28)(H,29,30,31)
InChIKeyFIHAXZPMNPLACG-UHFFFAOYSA-N
MW455.53 g/mol
LogP3.22
Rot. Bonds5

About 2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one

2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one (PubChem CID 166746640) has the molecular formula C24H25N9O and a molecular weight of 455.53 g/mol. Its IUPAC name is 2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one.

Molecular Properties

Compound Name2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one
PubChem CID166746640
Molecular FormulaC24H25N9O
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one
SMILESCN1C(=O)C(Cc2ccccn2)N(C2CCCC2)c2nc(Nc3ccc4n[nH]nc4c3)ncc21
InChIInChI=1S/C24H25N9O/c1-32-21-14-26-24(27-16-9-10-18-19(12-16)30-31-29-18)28-22(21)33(17-7-2-3-8-17)20(23(32)34)13-15-6-4-5-11-25-15/h4-6,9-12,14,17,20H,2-3,7-8,13H2,1H3,(H,26,27,28)(H,29,30,31)
InChIKeyFIHAXZPMNPLACG-UHFFFAOYSA-N
XLogP3.22
TPSA115.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-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 2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one?
The IUPAC name of 2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one (CID 166746640) is 2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one.
What is the SMILES notation for 2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one?
The canonical SMILES for 2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one is CN1C(=O)C(Cc2ccccn2)N(C2CCCC2)c2nc(Nc3ccc4n[nH]nc4c3)ncc21.
What is the InChIKey of 2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one?
The InChIKey is FIHAXZPMNPLACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O/c1-32-21-14-26-24(27-16-9-10-18-19(12-16)30-31-29-18)28-22(21)33(17-7-2-3-8-17)20(23(32)34)13-15-6-4-5-11-25-15/h4-6,9-12,14,17,20H,2-3,7-8,13H2,1H3,(H,26,27,28)(H,29,30,31).
What are the key properties of 2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one?
2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one has a molecular weight of 455.53 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-benzotriazol-5-ylamino)-8-cyclopentyl-5-methyl-7-(pyridin-2-ylmethyl)-7H-pteridin-6-one is sourced from PubChem (CID 166746640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).