4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile

C17H9ClFN7S — CID 56952915

IUPAC4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N)ncn2)c2sc(-c3c(F)cccc3Cl)nc12
InChIInChI=1S/C17H9ClFN7S/c18-9-2-1-3-10(19)13(9)17-26-14-8(5-20)6-22-16(15(14)27-17)25-12-4-11(21)23-7-24-12/h1-4,6-7H,(H3,21,22,23,24,25)
InChIKeyDXTFYYOZGIYKBH-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.14
Rot. Bonds3

About 4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile

4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile (PubChem CID 56952915) has the molecular formula C17H9ClFN7S and a molecular weight of 397.83 g/mol. Its IUPAC name is 4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile
PubChem CID56952915
Molecular FormulaC17H9ClFN7S
Molecular Weight397.83 g/mol
Exact Mass397.03
IUPAC Name4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile
SMILESN#Cc1cnc(Nc2cc(N)ncn2)c2sc(-c3c(F)cccc3Cl)nc12
InChIInChI=1S/C17H9ClFN7S/c18-9-2-1-3-10(19)13(9)17-26-14-8(5-20)6-22-16(15(14)27-17)25-12-4-11(21)23-7-24-12/h1-4,6-7H,(H3,21,22,23,24,25)
InChIKeyDXTFYYOZGIYKBH-UHFFFAOYSA-N
XLogP4.14
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-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 4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile?
The IUPAC name of 4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile (CID 56952915) is 4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile.
What is the SMILES notation for 4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile?
The canonical SMILES for 4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile is N#Cc1cnc(Nc2cc(N)ncn2)c2sc(-c3c(F)cccc3Cl)nc12.
What is the InChIKey of 4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile?
The InChIKey is DXTFYYOZGIYKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClFN7S/c18-9-2-1-3-10(19)13(9)17-26-14-8(5-20)6-22-16(15(14)27-17)25-12-4-11(21)23-7-24-12/h1-4,6-7H,(H3,21,22,23,24,25).
What are the key properties of 4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile?
4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile has a molecular weight of 397.83 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-aminopyrimidin-4-yl)amino]-2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridine-7-carbonitrile is sourced from PubChem (CID 56952915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).