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

C22H25N5O — CID 67261404

IUPAC(7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-c3cc4ccccc4[nH]3)nc2N1C1CCCC1
InChIInChI=1S/C22H25N5O/c1-3-18-22(28)26(2)19-13-23-20(17-12-14-8-4-7-11-16(14)24-17)25-21(19)27(18)15-9-5-6-10-15/h4,7-8,11-13,15,18,24H,3,5-6,9-10H2,1-2H3/t18-/m1/s1
InChIKeyYDMSAVNRUXTAPD-GOSISDBHSA-N
MW375.48 g/mol
LogP4.13
Rot. Bonds3

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

(7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one (PubChem CID 67261404) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is (7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one
PubChem CID67261404
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name(7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(-c3cc4ccccc4[nH]3)nc2N1C1CCCC1
InChIInChI=1S/C22H25N5O/c1-3-18-22(28)26(2)19-13-23-20(17-12-14-8-4-7-11-16(14)24-17)25-21(19)27(18)15-9-5-6-10-15/h4,7-8,11-13,15,18,24H,3,5-6,9-10H2,1-2H3/t18-/m1/s1
InChIKeyYDMSAVNRUXTAPD-GOSISDBHSA-N
XLogP4.13
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one?
The IUPAC name of (7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one (CID 67261404) is (7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one?
The canonical SMILES for (7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(-c3cc4ccccc4[nH]3)nc2N1C1CCCC1.
What is the InChIKey of (7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one?
The InChIKey is YDMSAVNRUXTAPD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N5O/c1-3-18-22(28)26(2)19-13-23-20(17-12-14-8-4-7-11-16(14)24-17)25-21(19)27(18)15-9-5-6-10-15/h4,7-8,11-13,15,18,24H,3,5-6,9-10H2,1-2H3/t18-/m1/s1.
What are the key properties of (7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one?
(7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one has a molecular weight of 375.48 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 67261404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).