6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide

C23H21ClF2N6O4S — CID 164594480

IUPAC6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NCC(C)C)c3cn2)c1F
InChIInChI=1S/C23H21ClF2N6O4S/c1-12(2)7-28-22(33)21-17-9-27-16(10-32(17)11-30-21)19-14(25)4-5-15(20(19)26)31-37(34,35)18-6-13(24)8-29-23(18)36-3/h4-6,8-12,31H,7H2,1-3H3,(H,28,33)
InChIKeyHFIFWVNTEQGOTC-UHFFFAOYSA-N
MW550.98 g/mol
LogP3.92
Rot. Bonds8

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164594480) has the molecular formula C23H21ClF2N6O4S and a molecular weight of 550.98 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID164594480
Molecular FormulaC23H21ClF2N6O4S
Molecular Weight550.98 g/mol
Exact Mass550.10
IUPAC Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NCC(C)C)c3cn2)c1F
InChIInChI=1S/C23H21ClF2N6O4S/c1-12(2)7-28-22(33)21-17-9-27-16(10-32(17)11-30-21)19-14(25)4-5-15(20(19)26)31-37(34,35)18-6-13(24)8-29-23(18)36-3/h4-6,8-12,31H,7H2,1-3H3,(H,28,33)
InChIKeyHFIFWVNTEQGOTC-UHFFFAOYSA-N
XLogP3.92
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.98
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[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-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide (CID 164594480) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NCC(C)C)c3cn2)c1F.
What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is HFIFWVNTEQGOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N6O4S/c1-12(2)7-28-22(33)21-17-9-27-16(10-32(17)11-30-21)19-14(25)4-5-15(20(19)26)31-37(34,35)18-6-13(24)8-29-23(18)36-3/h4-6,8-12,31H,7H2,1-3H3,(H,28,33).
What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide?
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 550.98 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-(2-methylpropyl)imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164594480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).