(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one

C21H29N7O2 — CID 58405660

IUPAC(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3N3CCOCC3)nc2N1C1CCCC1
InChIInChI=1S/C21H29N7O2/c1-3-16-19(29)25(2)17-14-23-20(24-18(17)28(16)15-6-4-5-7-15)27-9-8-22-21(27)26-10-12-30-13-11-26/h8-9,14-16H,3-7,10-13H2,1-2H3/t16-/m1/s1
InChIKeyKCAWIGWOSCPRAD-MRXNPFEDSA-N
MW411.51 g/mol
LogP2.00
Rot. Bonds4

About (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one

(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one (PubChem CID 58405660) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one
PubChem CID58405660
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3N3CCOCC3)nc2N1C1CCCC1
InChIInChI=1S/C21H29N7O2/c1-3-16-19(29)25(2)17-14-23-20(24-18(17)28(16)15-6-4-5-7-15)27-9-8-22-21(27)26-10-12-30-13-11-26/h8-9,14-16H,3-7,10-13H2,1-2H3/t16-/m1/s1
InChIKeyKCAWIGWOSCPRAD-MRXNPFEDSA-N
XLogP2.00
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-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

Related Compounds

9-[(1-Methylimidazol-2-yl)methyl]-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451085
(7S)-7-ethyl-2-imidazol-1-yl-5-methyl-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 58405400
(7R)-8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 58405406
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405534
(7R)-7-ethyl-2-imidazol-1-yl-5-methyl-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 58405823
8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one
CID 67261441
8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 67369761
(7R)-8-cyclopentyl-7-ethyl-2-[2-(fluoromethyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one
CID 69914902
7-ethyl-5-methyl-8-pentan-3-yl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one
CID 144211893
[1-(4-Morpholin-4-ylpyrimidin-5-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53165834
(6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one
CID 58405289
(R)-2-(2-bromo-1H-imidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one
CID 58405307

Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one (CID 58405660) is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3N3CCOCC3)nc2N1C1CCCC1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one?
The InChIKey is KCAWIGWOSCPRAD-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N7O2/c1-3-16-19(29)25(2)17-14-23-20(24-18(17)28(16)15-6-4-5-7-15)27-9-8-22-21(27)26-10-12-30-13-11-26/h8-9,14-16H,3-7,10-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one?
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one has a molecular weight of 411.51 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(2-morpholin-4-ylimidazol-1-yl)-7H-pteridin-6-one is sourced from PubChem (CID 58405660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).