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

C23H22ClF2N7O4S — CID 164593910

IUPAC6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NCCN(C)C)c3cn2)c1F
InChIInChI=1S/C23H22ClF2N7O4S/c1-32(2)7-6-27-22(34)21-17-10-28-16(11-33(17)12-30-21)19-14(25)4-5-15(20(19)26)31-38(35,36)18-8-13(24)9-29-23(18)37-3/h4-5,8-12,31H,6-7H2,1-3H3,(H,27,34)
InChIKeySBWORBDDTQDYSU-UHFFFAOYSA-N
MW565.99 g/mol
LogP2.82
Rot. Bonds9

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164593910) has the molecular formula C23H22ClF2N7O4S and a molecular weight of 565.99 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID164593910
Molecular FormulaC23H22ClF2N7O4S
Molecular Weight565.99 g/mol
Exact Mass565.11
IUPAC Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NCCN(C)C)c3cn2)c1F
InChIInChI=1S/C23H22ClF2N7O4S/c1-32(2)7-6-27-22(34)21-17-10-28-16(11-33(17)12-30-21)19-14(25)4-5-15(20(19)26)31-38(35,36)18-8-13(24)9-29-23(18)37-3/h4-5,8-12,31H,6-7H2,1-3H3,(H,27,34)
InChIKeySBWORBDDTQDYSU-UHFFFAOYSA-N
XLogP2.82
TPSA130.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.99
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]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-(dimethylamino)ethyl]imidazo[1,5-a]pyrazine-1-carboxamide (CID 164593910) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]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-(dimethylamino)ethyl]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-(dimethylamino)ethyl]imidazo[1,5-a]pyrazine-1-carboxamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(=O)NCCN(C)C)c3cn2)c1F.
What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is SBWORBDDTQDYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF2N7O4S/c1-32(2)7-6-27-22(34)21-17-10-28-16(11-33(17)12-30-21)19-14(25)4-5-15(20(19)26)31-38(35,36)18-8-13(24)9-29-23(18)37-3/h4-5,8-12,31H,6-7H2,1-3H3,(H,27,34).
What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyrazine-1-carboxamide?
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 565.99 g/mol, XLogP of 2.82, 9 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-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164593910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).