1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide

C20H27N7O2 — CID 58405622

IUPAC1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C(=O)N(C)C)c3)nc2N1C1CCCC1
InChIInChI=1S/C20H27N7O2/c1-5-15-19(29)25(4)16-10-21-20(23-17(16)27(15)13-8-6-7-9-13)26-11-14(22-12-26)18(28)24(2)3/h10-13,15H,5-9H2,1-4H3/t15-/m1/s1
InChIKeyHXPIYDVNBIUNSD-OAHLLOKOSA-N
MW397.48 g/mol
LogP1.87
Rot. Bonds4

About 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide

1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide (PubChem CID 58405622) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide
PubChem CID58405622
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C(=O)N(C)C)c3)nc2N1C1CCCC1
InChIInChI=1S/C20H27N7O2/c1-5-15-19(29)25(4)16-10-21-20(23-17(16)27(15)13-8-6-7-9-13)26-11-14(22-12-26)18(28)24(2)3/h10-13,15H,5-9H2,1-4H3/t15-/m1/s1
InChIKeyHXPIYDVNBIUNSD-OAHLLOKOSA-N
XLogP1.87
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide?
The IUPAC name of 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide (CID 58405622) is 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide?
The canonical SMILES for 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide is CC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C(=O)N(C)C)c3)nc2N1C1CCCC1.
What is the InChIKey of 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide?
The InChIKey is HXPIYDVNBIUNSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-5-15-19(29)25(4)16-10-21-20(23-17(16)27(15)13-8-6-7-9-13)26-11-14(22-12-26)18(28)24(2)3/h10-13,15H,5-9H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide?
1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]-N,N-dimethylimidazole-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 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]-N,N-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 58405622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).