(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one

C22H29N7O3 — CID 58405641

IUPAC(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C(=O)N4CCOCC4)c3)nc2N1C1CCCC1
InChIInChI=1S/C22H29N7O3/c1-3-17-21(31)26(2)18-12-23-22(25-19(18)29(17)15-6-4-5-7-15)28-13-16(24-14-28)20(30)27-8-10-32-11-9-27/h12-15,17H,3-11H2,1-2H3/t17-/m1/s1
InChIKeyZMRUUDQTDGEILI-QGZVFWFLSA-N
MW439.52 g/mol
LogP1.64
Rot. Bonds4

About (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one

(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one (PubChem CID 58405641) has the molecular formula C22H29N7O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one
PubChem CID58405641
Molecular FormulaC22H29N7O3
Molecular Weight439.52 g/mol
Exact Mass439.23
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C(=O)N4CCOCC4)c3)nc2N1C1CCCC1
InChIInChI=1S/C22H29N7O3/c1-3-17-21(31)26(2)18-12-23-22(25-19(18)29(17)15-6-4-5-7-15)28-13-16(24-14-28)20(30)27-8-10-32-11-9-27/h12-15,17H,3-11H2,1-2H3/t17-/m1/s1
InChIKeyZMRUUDQTDGEILI-QGZVFWFLSA-N
XLogP1.64
TPSA96.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one (CID 58405641) is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3cnc(C(=O)N4CCOCC4)c3)nc2N1C1CCCC1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one?
The InChIKey is ZMRUUDQTDGEILI-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29N7O3/c1-3-17-21(31)26(2)18-12-23-22(25-19(18)29(17)15-6-4-5-7-15)28-13-16(24-14-28)20(30)27-8-10-32-11-9-27/h12-15,17H,3-11H2,1-2H3/t17-/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one?
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one has a molecular weight of 439.52 g/mol, XLogP of 1.64, 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-[4-(morpholine-4-carbonyl)imidazol-1-yl]-7H-pteridin-6-one is sourced from PubChem (CID 58405641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).