(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one

C20H23N7OS — CID 58405426

IUPAC(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3nccs3)nc2N1C1CCCC1
InChIInChI=1S/C20H23N7OS/c1-3-14-19(28)25(2)15-12-23-20(24-16(15)27(14)13-6-4-5-7-13)26-10-8-21-17(26)18-22-9-11-29-18/h8-14H,3-7H2,1-2H3/t14-/m1/s1
InChIKeyPWRZDLKGYMOMHO-CQSZACIVSA-N
MW409.52 g/mol
LogP3.29
Rot. Bonds4

About (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one

(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one (PubChem CID 58405426) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one
PubChem CID58405426
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3nccs3)nc2N1C1CCCC1
InChIInChI=1S/C20H23N7OS/c1-3-14-19(28)25(2)15-12-23-20(24-16(15)27(14)13-6-4-5-7-13)26-10-8-21-17(26)18-22-9-11-29-18/h8-14H,3-7H2,1-2H3/t14-/m1/s1
InChIKeyPWRZDLKGYMOMHO-CQSZACIVSA-N
XLogP3.29
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.29
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-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one (CID 58405426) is (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3nccs3)nc2N1C1CCCC1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one?
The InChIKey is PWRZDLKGYMOMHO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N7OS/c1-3-14-19(28)25(2)15-12-23-20(24-16(15)27(14)13-6-4-5-7-13)26-10-8-21-17(26)18-22-9-11-29-18/h8-14H,3-7H2,1-2H3/t14-/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one?
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one has a molecular weight of 409.52 g/mol, XLogP of 3.29, 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-(1,3-thiazol-2-yl)imidazol-1-yl]-7H-pteridin-6-one is sourced from PubChem (CID 58405426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).