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

C22H25N5O — CID 58405790

IUPAC(7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccc4ccccc43)nc2N1C1CCCC1
InChIInChI=1S/C22H25N5O/c1-3-17-21(28)25(2)19-14-23-22(24-20(19)27(17)16-9-5-6-10-16)26-13-12-15-8-4-7-11-18(15)26/h4,7-8,11-14,16-17H,3,5-6,9-10H2,1-2H3/t17-/m1/s1
InChIKeyCRUHGKWTRGGZNA-QGZVFWFLSA-N
MW375.48 g/mol
LogP3.92
Rot. Bonds3

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

(7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one (PubChem CID 58405790) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one
PubChem CID58405790
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-n3ccc4ccccc43)nc2N1C1CCCC1
InChIInChI=1S/C22H25N5O/c1-3-17-21(28)25(2)19-14-23-22(24-20(19)27(17)16-9-5-6-10-16)26-13-12-15-8-4-7-11-18(15)26/h4,7-8,11-14,16-17H,3,5-6,9-10H2,1-2H3/t17-/m1/s1
InChIKeyCRUHGKWTRGGZNA-QGZVFWFLSA-N
XLogP3.92
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one (CID 58405790) is (7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-n3ccc4ccccc43)nc2N1C1CCCC1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one?
The InChIKey is CRUHGKWTRGGZNA-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N5O/c1-3-17-21(28)25(2)19-14-23-22(24-20(19)27(17)16-9-5-6-10-16)26-13-12-15-8-4-7-11-18(15)26/h4,7-8,11-14,16-17H,3,5-6,9-10H2,1-2H3/t17-/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one?
(7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one has a molecular weight of 375.48 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclopentyl-7-ethyl-2-indol-1-yl-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 58405790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).