3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile

C14H15ClN6 — CID 87500460

IUPAC3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile
SMILESCCC1c2c(C#N)ncn2-c2cnc(Cl)nc2N1C(C)C
InChIInChI=1S/C14H15ClN6/c1-4-10-12-9(5-16)18-7-20(12)11-6-17-14(15)19-13(11)21(10)8(2)3/h6-8,10H,4H2,1-3H3
InChIKeySWEAQRIQSKPPTG-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.87
Rot. Bonds2

About 3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile

3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile (PubChem CID 87500460) has the molecular formula C14H15ClN6 and a molecular weight of 302.77 g/mol. Its IUPAC name is 3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile
PubChem CID87500460
Molecular FormulaC14H15ClN6
Molecular Weight302.77 g/mol
Exact Mass302.10
IUPAC Name3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile
SMILESCCC1c2c(C#N)ncn2-c2cnc(Cl)nc2N1C(C)C
InChIInChI=1S/C14H15ClN6/c1-4-10-12-9(5-16)18-7-20(12)11-6-17-14(15)19-13(11)21(10)8(2)3/h6-8,10H,4H2,1-3H3
InChIKeySWEAQRIQSKPPTG-UHFFFAOYSA-N
XLogP2.87
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile?
The IUPAC name of 3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile (CID 87500460) is 3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile.
What is the SMILES notation for 3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile?
The canonical SMILES for 3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile is CCC1c2c(C#N)ncn2-c2cnc(Cl)nc2N1C(C)C.
What is the InChIKey of 3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile?
The InChIKey is SWEAQRIQSKPPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6/c1-4-10-12-9(5-16)18-7-20(12)11-6-17-14(15)19-13(11)21(10)8(2)3/h6-8,10H,4H2,1-3H3.
What are the key properties of 3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile?
3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile has a molecular weight of 302.77 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridine-7-carbonitrile is sourced from PubChem (CID 87500460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).