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

C23H25N9 — CID 67499836

IUPAC(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3-c3cccnc3)nc2N1C1CCCC1
InChIInChI=1S/C23H25N9/c1-3-18-22-29-28-15(2)31(22)19-14-26-23(27-21(19)32(18)17-8-4-5-9-17)30-12-11-25-20(30)16-7-6-10-24-13-16/h6-7,10-14,17-18H,3-5,8-9H2,1-2H3/t18-/m1/s1
InChIKeyFWSQHLODIAWBCR-GOSISDBHSA-N
MW427.52 g/mol
LogP3.83
Rot. Bonds4

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

(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 67499836) has the molecular formula C23H25N9 and a molecular weight of 427.52 g/mol. Its IUPAC name is (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID67499836
Molecular FormulaC23H25N9
Molecular Weight427.52 g/mol
Exact Mass427.22
IUPAC Name(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3-c3cccnc3)nc2N1C1CCCC1
InChIInChI=1S/C23H25N9/c1-3-18-22-29-28-15(2)31(22)19-14-26-23(27-21(19)32(18)17-8-4-5-9-17)30-12-11-25-20(30)16-7-6-10-24-13-16/h6-7,10-14,17-18H,3-5,8-9H2,1-2H3/t18-/m1/s1
InChIKeyFWSQHLODIAWBCR-GOSISDBHSA-N
XLogP3.83
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

5-cyclopentyl-4-ethyl-1-methyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67498738
5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyrimidin-5-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979458
5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979490
(4R)-5-cyclobutyl-4-ethyl-1-methyl-7-(2-pyrimidin-2-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979430
(4R)-5-cyclopentyl-7-(2-cyclopropylimidazol-1-yl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 56959270
4-[1-[(4R)-5-cyclopentyl-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]imidazol-2-yl]-1,3-thiazole
CID 66979882
(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-[2-(trifluoromethyl)imidazol-1-yl]-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499620
(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979564
(4R)-5-cyclopentyl-4-ethyl-7-(2-pyridin-4-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979410
(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499387
5-cyclobutyl-4-ethyl-1-methyl-7-pyridin-4-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979451
(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(3-phenyl-4-pyridinyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979399

Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 67499836) is (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is CC[C@@H]1c2nnc(C)n2-c2cnc(-n3ccnc3-c3cccnc3)nc2N1C1CCCC1.
What is the InChIKey of (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is FWSQHLODIAWBCR-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N9/c1-3-18-22-29-28-15(2)31(22)19-14-26-23(27-21(19)32(18)17-8-4-5-9-17)30-12-11-25-20(30)16-7-6-10-24-13-16/h6-7,10-14,17-18H,3-5,8-9H2,1-2H3/t18-/m1/s1.
What are the key properties of (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine?
(4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 427.52 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-cyclopentyl-4-ethyl-1-methyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 67499836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).