(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one

C23H26N6O — CID 58405631

IUPAC(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C1CCCC1
InChIInChI=1S/C23H26N6O/c1-3-18-22(30)27(2)19-15-25-23(26-21(19)29(18)17-11-7-8-12-17)28-14-13-24-20(28)16-9-5-4-6-10-16/h4-6,9-10,13-15,17-18H,3,7-8,11-12H2,1-2H3/t18-/m1/s1
InChIKeyJMDRAMDTWLAOHD-GOSISDBHSA-N
MW402.50 g/mol
LogP3.83
Rot. Bonds4

About (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one

(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one (PubChem CID 58405631) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
PubChem CID58405631
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C1CCCC1
InChIInChI=1S/C23H26N6O/c1-3-18-22(30)27(2)19-15-25-23(26-21(19)29(18)17-11-7-8-12-17)28-14-13-24-20(28)16-9-5-4-6-10-16/h4-6,9-10,13-15,17-18H,3,7-8,11-12H2,1-2H3/t18-/m1/s1
InChIKeyJMDRAMDTWLAOHD-GOSISDBHSA-N
XLogP3.83
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one (CID 58405631) is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C1CCCC1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one?
The InChIKey is JMDRAMDTWLAOHD-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N6O/c1-3-18-22(30)27(2)19-15-25-23(26-21(19)29(18)17-11-7-8-12-17)28-14-13-24-20(28)16-9-5-4-6-10-16/h4-6,9-10,13-15,17-18H,3,7-8,11-12H2,1-2H3/t18-/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one?
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one has a molecular weight of 402.50 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-7H-pteridin-6-one is sourced from PubChem (CID 58405631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).