5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile

C17H20N6 — CID 156882769

IUPAC5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile
SMILESCCC1c2c(C#N)ncn2-c2cnc(C)nc2N1C1CCCC1
InChIInChI=1S/C17H20N6/c1-3-14-16-13(8-18)20-10-22(16)15-9-19-11(2)21-17(15)23(14)12-6-4-5-7-12/h9-10,12,14H,3-7H2,1-2H3
InChIKeyJKQKNKDAMXIAAY-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.06
Rot. Bonds2

About 5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile

5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile (PubChem CID 156882769) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile.

Molecular Properties

Compound Name5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile
PubChem CID156882769
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile
SMILESCCC1c2c(C#N)ncn2-c2cnc(C)nc2N1C1CCCC1
InChIInChI=1S/C17H20N6/c1-3-14-16-13(8-18)20-10-22(16)15-9-19-11(2)21-17(15)23(14)12-6-4-5-7-12/h9-10,12,14H,3-7H2,1-2H3
InChIKeyJKQKNKDAMXIAAY-UHFFFAOYSA-N
XLogP3.06
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 59286705
CID 59286705
CID 66596439
CID 66596439
CID 77151093
CID 77151093
CID 86640226
CID 86640226
CID 86640227
CID 86640227
CID 87500460
CID 87500460
CID 87501006
CID 87501006
CID 123269176
CID 123269176
CID 123837176
CID 123837176
CID 140378972
CID 140378972
CID 141215628
CID 141215628
CID 157032101
CID 157032101

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile?
The IUPAC name of 5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile (CID 156882769) is 5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile.
What is the SMILES notation for 5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile?
The canonical SMILES for 5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile is CCC1c2c(C#N)ncn2-c2cnc(C)nc2N1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile?
The InChIKey is JKQKNKDAMXIAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-3-14-16-13(8-18)20-10-22(16)15-9-19-11(2)21-17(15)23(14)12-6-4-5-7-12/h9-10,12,14H,3-7H2,1-2H3.
What are the key properties of 5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile?
5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile has a molecular weight of 308.39 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-ethyl-3-methyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile is sourced from PubChem (CID 156882769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).