6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide

C20H15ClF2N6O3S — CID 164594156

IUPAC6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4C)c3F)ncc12
InChIInChI=1S/C20H15ClF2N6O3S/c1-10-16(5-11(21)6-25-10)33(31,32)28-13-4-3-12(22)17(18(13)23)14-8-29-9-27-19(20(30)24-2)15(29)7-26-14/h3-9,28H,1-2H3,(H,24,30)
InChIKeyYSCWEIVVEFFZQO-UHFFFAOYSA-N
MW492.90 g/mol
LogP3.19
Rot. Bonds5

About 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide

6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164594156) has the molecular formula C20H15ClF2N6O3S and a molecular weight of 492.90 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID164594156
Molecular FormulaC20H15ClF2N6O3S
Molecular Weight492.90 g/mol
Exact Mass492.06
IUPAC Name6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4C)c3F)ncc12
InChIInChI=1S/C20H15ClF2N6O3S/c1-10-16(5-11(21)6-25-10)33(31,32)28-13-4-3-12(22)17(18(13)23)14-8-29-9-27-19(20(30)24-2)15(29)7-26-14/h3-9,28H,1-2H3,(H,24,30)
InChIKeyYSCWEIVVEFFZQO-UHFFFAOYSA-N
XLogP3.19
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.90
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide 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 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide (CID 164594156) is 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide is CNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4C)c3F)ncc12.
What is the InChIKey of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is YSCWEIVVEFFZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N6O3S/c1-10-16(5-11(21)6-25-10)33(31,32)28-13-4-3-12(22)17(18(13)23)14-8-29-9-27-19(20(30)24-2)15(29)7-26-14/h3-9,28H,1-2H3,(H,24,30).
What are the key properties of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide?
6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 492.90 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164594156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).