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

C22H23N7 — CID 66979801

IUPAC(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(-n3ccc4ccccc43)nc2N1C1CCCC1
InChIInChI=1S/C22H23N7/c1-2-17-21-26-24-14-28(21)19-13-23-22(25-20(19)29(17)16-8-4-5-9-16)27-12-11-15-7-3-6-10-18(15)27/h3,6-7,10-14,16-17H,2,4-5,8-9H2,1H3/t17-/m1/s1
InChIKeyNBIONEYWKUYCRY-QGZVFWFLSA-N
MW385.48 g/mol
LogP4.21
Rot. Bonds3

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

(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine (PubChem CID 66979801) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is (4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine.

Molecular Properties

Compound Name(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
PubChem CID66979801
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
SMILESCC[C@@H]1c2nncn2-c2cnc(-n3ccc4ccccc43)nc2N1C1CCCC1
InChIInChI=1S/C22H23N7/c1-2-17-21-26-24-14-28(21)19-13-23-22(25-20(19)29(17)16-8-4-5-9-16)27-12-11-15-7-3-6-10-18(15)27/h3,6-7,10-14,16-17H,2,4-5,8-9H2,1H3/t17-/m1/s1
InChIKeyNBIONEYWKUYCRY-QGZVFWFLSA-N
XLogP4.21
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The IUPAC name of (4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine (CID 66979801) is (4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine.
What is the SMILES notation for (4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The canonical SMILES for (4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine is CC[C@@H]1c2nncn2-c2cnc(-n3ccc4ccccc43)nc2N1C1CCCC1.
What is the InChIKey of (4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
The InChIKey is NBIONEYWKUYCRY-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N7/c1-2-17-21-26-24-14-28(21)19-13-23-22(25-20(19)29(17)16-8-4-5-9-16)27-12-11-15-7-3-6-10-18(15)27/h3,6-7,10-14,16-17H,2,4-5,8-9H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine?
(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine has a molecular weight of 385.48 g/mol, XLogP of 4.21, 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-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine is sourced from PubChem (CID 66979801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).