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

C24H24ClF2N7O4S — CID 164593685

IUPAC6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[3-(dimethylamino)propyl]imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NCCCN(C)C)c3cn2)c1F
InChIInChI=1S/C24H24ClF2N7O4S/c1-33(2)8-4-7-28-23(35)22-18-11-29-17(12-34(18)13-31-22)20-15(26)5-6-16(21(20)27)32-39(36,37)19-9-14(25)10-30-24(19)38-3/h5-6,9-13,32H,4,7-8H2,1-3H3,(H,28,35)
InChIKeyIEWGDWWDYXANKY-UHFFFAOYSA-N
MW580.02 g/mol
LogP3.21
Rot. Bonds10

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[3-(dimethylamino)propyl]imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164593685) has the molecular formula C24H24ClF2N7O4S and a molecular weight of 580.02 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[3-(dimethylamino)propyl]imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[3-(dimethylamino)propyl]imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID164593685
Molecular FormulaC24H24ClF2N7O4S
Molecular Weight580.02 g/mol
Exact Mass579.13
IUPAC Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[3-(dimethylamino)propyl]imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NCCCN(C)C)c3cn2)c1F
InChIInChI=1S/C24H24ClF2N7O4S/c1-33(2)8-4-7-28-23(35)22-18-11-29-17(12-34(18)13-31-22)20-15(26)5-6-16(21(20)27)32-39(36,37)19-9-14(25)10-30-24(19)38-3/h5-6,9-13,32H,4,7-8H2,1-3H3,(H,28,35)
InChIKeyIEWGDWWDYXANKY-UHFFFAOYSA-N
XLogP3.21
TPSA130.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.02
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[3-(dimethylamino)propyl]imidazo[1,5-a]pyrazine-1-carboxamide (CID 164593685) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[3-(dimethylamino)propyl]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-[3-(dimethylamino)propyl]imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[3-(dimethylamino)propyl]imidazo[1,5-a]pyrazine-1-carboxamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NCCCN(C)C)c3cn2)c1F.
What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[3-(dimethylamino)propyl]imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is IEWGDWWDYXANKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N7O4S/c1-33(2)8-4-7-28-23(35)22-18-11-29-17(12-34(18)13-31-22)20-15(26)5-6-16(21(20)27)32-39(36,37)19-9-14(25)10-30-24(19)38-3/h5-6,9-13,32H,4,7-8H2,1-3H3,(H,28,35).
What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[3-(dimethylamino)propyl]imidazo[1,5-a]pyrazine-1-carboxamide?
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[3-(dimethylamino)propyl]imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 580.02 g/mol, XLogP of 3.21, 10 rotatable bonds, 2 hydrogen bond donors, and 9 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-[3-(dimethylamino)propyl]imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164593685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).