1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid

C18H22N6O3 — CID 58405451

IUPAC1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C(=O)O)c3)nc2N1C1CCCC1
InChIInChI=1S/C18H22N6O3/c1-3-13-16(25)22(2)14-8-19-18(23-9-12(17(26)27)20-10-23)21-15(14)24(13)11-6-4-5-7-11/h8-11,13H,3-7H2,1-2H3,(H,26,27)/t13-/m1/s1
InChIKeyYSDSOVYMTPFTHO-CYBMUJFWSA-N
MW370.41 g/mol
LogP1.86
Rot. Bonds4

About 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid

1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid (PubChem CID 58405451) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid
PubChem CID58405451
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C(=O)O)c3)nc2N1C1CCCC1
InChIInChI=1S/C18H22N6O3/c1-3-13-16(25)22(2)14-8-19-18(23-9-12(17(26)27)20-10-23)21-15(14)24(13)11-6-4-5-7-11/h8-11,13H,3-7H2,1-2H3,(H,26,27)/t13-/m1/s1
InChIKeyYSDSOVYMTPFTHO-CYBMUJFWSA-N
XLogP1.86
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid 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 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid (CID 58405451) is 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid is CC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C(=O)O)c3)nc2N1C1CCCC1.
What is the InChIKey of 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid?
The InChIKey is YSDSOVYMTPFTHO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-3-13-16(25)22(2)14-8-19-18(23-9-12(17(26)27)20-10-23)21-15(14)24(13)11-6-4-5-7-11/h8-11,13H,3-7H2,1-2H3,(H,26,27)/t13-/m1/s1.
What are the key properties of 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid?
1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylic acid is sourced from PubChem (CID 58405451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).