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

C17H21BrN6O — CID 58405307

IUPAC(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3Br)nc2N1C1CCCC1
InChIInChI=1S/C17H21BrN6O/c1-3-12-15(25)22(2)13-10-20-17(23-9-8-19-16(23)18)21-14(13)24(12)11-6-4-5-7-11/h8-12H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyJRKBHEHZWOHXGO-GFCCVEGCSA-N
MW405.30 g/mol
LogP2.93
Rot. Bonds3

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

(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one (PubChem CID 58405307) has the molecular formula C17H21BrN6O and a molecular weight of 405.30 g/mol. Its IUPAC name is (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
PubChem CID58405307
Molecular FormulaC17H21BrN6O
Molecular Weight405.30 g/mol
Exact Mass404.10
IUPAC Name(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3Br)nc2N1C1CCCC1
InChIInChI=1S/C17H21BrN6O/c1-3-12-15(25)22(2)13-10-20-17(23-9-8-19-16(23)18)21-14(13)24(12)11-6-4-5-7-11/h8-12H,3-7H2,1-2H3/t12-/m1/s1
InChIKeyJRKBHEHZWOHXGO-GFCCVEGCSA-N
XLogP2.93
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one?
The IUPAC name of (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one (CID 58405307) is (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one?
The canonical SMILES for (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3Br)nc2N1C1CCCC1.
What is the InChIKey of (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one?
The InChIKey is JRKBHEHZWOHXGO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21BrN6O/c1-3-12-15(25)22(2)13-10-20-17(23-9-8-19-16(23)18)21-14(13)24(12)11-6-4-5-7-11/h8-12H,3-7H2,1-2H3/t12-/m1/s1.
What are the key properties of (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one?
(7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one has a molecular weight of 405.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-(2-bromoimidazol-1-yl)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 58405307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).