(4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine

C20H23N7 — CID 123145572

IUPAC(4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2c(C)nc(-c3ccncc3)nc2N1C1CCCC1
InChIInChI=1S/C20H23N7/c1-3-16-19-25-22-12-26(19)17-13(2)23-18(14-8-10-21-11-9-14)24-20(17)27(16)15-6-4-5-7-15/h8-12,15-16H,3-7H2,1-2H3/t16-/m1/s1
InChIKeyCHBGBTSCBHGPPW-MRXNPFEDSA-N
MW361.45 g/mol
LogP3.64
Rot. Bonds3

About (4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine

(4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 123145572) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is (4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name(4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID123145572
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name(4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2c(C)nc(-c3ccncc3)nc2N1C1CCCC1
InChIInChI=1S/C20H23N7/c1-3-16-19-25-22-12-26(19)17-13(2)23-18(14-8-10-21-11-9-14)24-20(17)27(16)15-6-4-5-7-15/h8-12,15-16H,3-7H2,1-2H3/t16-/m1/s1
InChIKeyCHBGBTSCBHGPPW-MRXNPFEDSA-N
XLogP3.64
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine with MolForge

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Related Compounds

N-[[4-[(4R)-5-cyclopentyl-4-ethyl-9-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]benzamide
CID 66979966
(4R)-5-cyclopentyl-4-ethyl-7-(2-pyridin-4-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979410
4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)pyridin-3-amine
CID 66979234
(4R)-5-cyclopentyl-4-ethyl-7-(1-oxidopyridin-1-ium-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499872
5-cyclobutyl-4-ethyl-1-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979451
(4R)-5-cyclobutyl-4-ethyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979507
5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499430
4-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-N-methylpyridin-2-amine
CID 67122143
5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 123214877
5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979490
(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499387
(4R)-5-cyclopentyl-4-ethyl-7-(2-fluoro-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine;(4R)-5-cyclopentyl-4-ethyl-7-(2-methoxy-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 161055606

Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of (4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 123145572) is (4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for (4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for (4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine is CC[C@@H]1c2nncn2-c2c(C)nc(-c3ccncc3)nc2N1C1CCCC1.
What is the InChIKey of (4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is CHBGBTSCBHGPPW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N7/c1-3-16-19-25-22-12-26(19)17-13(2)23-18(14-8-10-21-11-9-14)24-20(17)27(16)15-6-4-5-7-15/h8-12,15-16H,3-7H2,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
(4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 361.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-cyclopentyl-4-ethyl-9-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 123145572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).