5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

C20H23N7O — CID 67499430

IUPAC5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-c3ccnc(OC)c3)nc2N1C1CCCC1
InChIInChI=1S/C20H23N7O/c1-3-15-20-25-23-12-26(20)16-11-22-18(13-8-9-21-17(10-13)28-2)24-19(16)27(15)14-6-4-5-7-14/h8-12,14-15H,3-7H2,1-2H3
InChIKeyLUUUEQHWKVPWIP-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.34
Rot. Bonds4

About 5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine

5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 67499430) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID67499430
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCCC1c2nncn2-c2cnc(-c3ccnc(OC)c3)nc2N1C1CCCC1
InChIInChI=1S/C20H23N7O/c1-3-15-20-25-23-12-26(20)16-11-22-18(13-8-9-21-17(10-13)28-2)24-19(16)27(15)14-6-4-5-7-14/h8-12,14-15H,3-7H2,1-2H3
InChIKeyLUUUEQHWKVPWIP-UHFFFAOYSA-N
XLogP3.34
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of 5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 67499430) is 5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for 5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for 5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CCC1c2nncn2-c2cnc(-c3ccnc(OC)c3)nc2N1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is LUUUEQHWKVPWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-3-15-20-25-23-12-26(20)16-11-22-18(13-8-9-21-17(10-13)28-2)24-19(16)27(15)14-6-4-5-7-14/h8-12,14-15H,3-7H2,1-2H3.
What are the key properties of 5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 377.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 67499430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).