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

C19H24N6O3 — CID 58405327

IUPACmethyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C(=O)OC)c3)nc2N1C1CCCC1
InChIInChI=1S/C19H24N6O3/c1-4-14-17(26)23(2)15-9-20-19(24-10-13(21-11-24)18(27)28-3)22-16(15)25(14)12-7-5-6-8-12/h9-12,14H,4-8H2,1-3H3/t14-/m1/s1
InChIKeyKKTHABOJMCMSDG-CQSZACIVSA-N
MW384.44 g/mol
LogP1.95
Rot. Bonds4

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

methyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate (PubChem CID 58405327) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is methyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate
PubChem CID58405327
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Namemethyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C(=O)OC)c3)nc2N1C1CCCC1
InChIInChI=1S/C19H24N6O3/c1-4-14-17(26)23(2)15-9-20-19(24-10-13(21-11-24)18(27)28-3)22-16(15)25(14)12-7-5-6-8-12/h9-12,14H,4-8H2,1-3H3/t14-/m1/s1
InChIKeyKKTHABOJMCMSDG-CQSZACIVSA-N
XLogP1.95
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate?
The IUPAC name of methyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate (CID 58405327) is methyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate?
The canonical SMILES for methyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate is CC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C(=O)OC)c3)nc2N1C1CCCC1.
What is the InChIKey of methyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate?
The InChIKey is KKTHABOJMCMSDG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-4-14-17(26)23(2)15-9-20-19(24-10-13(21-11-24)18(27)28-3)22-16(15)25(14)12-7-5-6-8-12/h9-12,14H,4-8H2,1-3H3/t14-/m1/s1.
What are the key properties of methyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate?
methyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]imidazole-4-carboxylate is sourced from PubChem (CID 58405327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).