8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one

C19H23N5O2 — CID 67254335

IUPAC8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-c3cc[nH]c(=O)c3)nc2N1C1CCCC1
InChIInChI=1S/C19H23N5O2/c1-3-14-19(26)23(2)15-11-21-17(12-8-9-20-16(25)10-12)22-18(15)24(14)13-6-4-5-7-13/h8-11,13-14H,3-7H2,1-2H3,(H,20,25)
InChIKeyQAAPCVCAVOOXLU-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.34
Rot. Bonds3

About 8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one

8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one (PubChem CID 67254335) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one.

Molecular Properties

Compound Name8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one
PubChem CID67254335
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-c3cc[nH]c(=O)c3)nc2N1C1CCCC1
InChIInChI=1S/C19H23N5O2/c1-3-14-19(26)23(2)15-11-21-17(12-8-9-20-16(25)10-12)22-18(15)24(14)13-6-4-5-7-13/h8-11,13-14H,3-7H2,1-2H3,(H,20,25)
InChIKeyQAAPCVCAVOOXLU-UHFFFAOYSA-N
XLogP2.34
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1-oxidopyridin-1-ium-4-yl)-7H-pteridin-6-one
CID 67253084
(7R)-8-cyclopentyl-7-ethyl-2-(1H-indol-2-yl)-5-methyl-7H-pteridin-6-one
CID 67261404
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1,3-thiazol-5-yl)-7H-pteridin-6-one
CID 58405599
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-7H-pteridin-6-one
CID 58405739
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(1H-pyrazol-4-yl)-7H-pteridin-6-one;1H-pyrazol-4-ylboronic acid
CID 159415558
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(4-methylanilino)-7H-pteridin-6-one
CID 171081916
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-(3-phenylmethoxyphenyl)-7H-pteridin-6-one;methane;(3-phenylmethoxyphenyl)boronic acid
CID 159303115
8-cyclobutyl-7-ethyl-5-methyl-2-(2-pyridin-4-ylimidazol-1-yl)-7H-pteridin-6-one
CID 67372003
methyl N-[[4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)-3-pyridinyl]methyl]carbamate
CID 77446170
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[[(1S)-1-piperidin-4-ylethyl]amino]-7H-pteridin-6-one
CID 67016567
(7R)-8-cyclobutyl-7-ethyl-5-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405723
8-cyclobutyl-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 67261461

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one?
The IUPAC name of 8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one (CID 67254335) is 8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one.
What is the SMILES notation for 8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one?
The canonical SMILES for 8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(-c3cc[nH]c(=O)c3)nc2N1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one?
The InChIKey is QAAPCVCAVOOXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-14-19(26)23(2)15-11-21-17(12-8-9-20-16(25)10-12)22-18(15)24(14)13-6-4-5-7-13/h8-11,13-14H,3-7H2,1-2H3,(H,20,25).
What are the key properties of 8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one?
8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one has a molecular weight of 353.43 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-7-ethyl-5-methyl-2-(2-oxo-1H-pyridin-4-yl)-7H-pteridin-6-one is sourced from PubChem (CID 67254335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).