8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C20H12ClF3N8 — CID 156556930

IUPAC8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cncc(-c2ccc(C(F)F)nc2)n1)c1nc2nncn2c2cc(Cl)c(F)cc12
InChIInChI=1S/C20H12ClF3N8/c1-31(17-8-25-7-15(28-17)10-2-3-14(18(23)24)26-6-10)19-11-4-13(22)12(21)5-16(11)32-9-27-30-20(32)29-19/h2-9,18H,1H3
InChIKeyHXABMHHWYAXWIB-UHFFFAOYSA-N
MW456.82 g/mol
LogP4.63
Rot. Bonds4

About 8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156556930) has the molecular formula C20H12ClF3N8 and a molecular weight of 456.82 g/mol. Its IUPAC name is 8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound Name8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156556930
Molecular FormulaC20H12ClF3N8
Molecular Weight456.82 g/mol
Exact Mass456.08
IUPAC Name8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCN(c1cncc(-c2ccc(C(F)F)nc2)n1)c1nc2nncn2c2cc(Cl)c(F)cc12
InChIInChI=1S/C20H12ClF3N8/c1-31(17-8-25-7-15(28-17)10-2-3-14(18(23)24)26-6-10)19-11-4-13(22)12(21)5-16(11)32-9-27-30-20(32)29-19/h2-9,18H,1H3
InChIKeyHXABMHHWYAXWIB-UHFFFAOYSA-N
XLogP4.63
TPSA84.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.82
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine 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 8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of 8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156556930) is 8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for 8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for 8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CN(c1cncc(-c2ccc(C(F)F)nc2)n1)c1nc2nncn2c2cc(Cl)c(F)cc12.
What is the InChIKey of 8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is HXABMHHWYAXWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N8/c1-31(17-8-25-7-15(28-17)10-2-3-14(18(23)24)26-6-10)19-11-4-13(22)12(21)5-16(11)32-9-27-30-20(32)29-19/h2-9,18H,1H3.
What are the key properties of 8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 456.82 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[6-[6-(difluoromethyl)-3-pyridinyl]pyrazin-2-yl]-7-fluoro-N-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156556930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).