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

C16H17ClN6 — CID 87501006

IUPAC3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile
SMILESCCC1c2c(C#N)ncn2-c2cnc(Cl)nc2N1C1CCCC1
InChIInChI=1S/C16H17ClN6/c1-2-12-14-11(7-18)20-9-22(14)13-8-19-16(17)21-15(13)23(12)10-5-3-4-6-10/h8-10,12H,2-6H2,1H3
InChIKeyLSJBEOAHMUOHBW-UHFFFAOYSA-N
MW328.81 g/mol
LogP3.40
Rot. Bonds2

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

3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile (PubChem CID 87501006) has the molecular formula C16H17ClN6 and a molecular weight of 328.81 g/mol. Its IUPAC name is 3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile
PubChem CID87501006
Molecular FormulaC16H17ClN6
Molecular Weight328.81 g/mol
Exact Mass328.12
IUPAC Name3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile
SMILESCCC1c2c(C#N)ncn2-c2cnc(Cl)nc2N1C1CCCC1
InChIInChI=1S/C16H17ClN6/c1-2-12-14-11(7-18)20-9-22(14)13-8-19-16(17)21-15(13)23(12)10-5-3-4-6-10/h8-10,12H,2-6H2,1H3
InChIKeyLSJBEOAHMUOHBW-UHFFFAOYSA-N
XLogP3.40
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile?
The IUPAC name of 3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile (CID 87501006) is 3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile.
What is the SMILES notation for 3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile?
The canonical SMILES for 3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile is CCC1c2c(C#N)ncn2-c2cnc(Cl)nc2N1C1CCCC1.
What is the InChIKey of 3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile?
The InChIKey is LSJBEOAHMUOHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6/c1-2-12-14-11(7-18)20-9-22(14)13-8-19-16(17)21-15(13)23(12)10-5-3-4-6-10/h8-10,12H,2-6H2,1H3.
What are the key properties of 3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile?
3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile has a molecular weight of 328.81 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine-7-carbonitrile is sourced from PubChem (CID 87501006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).