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

C19H13ClF2N6O4S — CID 164594588

IUPAC6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(N)=O)c3cn2)c1F
InChIInChI=1S/C19H13ClF2N6O4S/c1-32-19-14(4-9(20)5-25-19)33(30,31)27-11-3-2-10(21)15(16(11)22)12-7-28-8-26-17(18(23)29)13(28)6-24-12/h2-8,27H,1H3,(H2,23,29)
InChIKeyNACAWLRXHGOIMP-UHFFFAOYSA-N
MW494.87 g/mol
LogP2.63
Rot. Bonds6

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

6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164594588) has the molecular formula C19H13ClF2N6O4S and a molecular weight of 494.87 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID164594588
Molecular FormulaC19H13ClF2N6O4S
Molecular Weight494.87 g/mol
Exact Mass494.04
IUPAC Name6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(N)=O)c3cn2)c1F
InChIInChI=1S/C19H13ClF2N6O4S/c1-32-19-14(4-9(20)5-25-19)33(30,31)27-11-3-2-10(21)15(16(11)22)12-7-28-8-26-17(18(23)29)13(28)6-24-12/h2-8,27H,1H3,(H2,23,29)
InChIKeyNACAWLRXHGOIMP-UHFFFAOYSA-N
XLogP2.63
TPSA141.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.87
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxamide (CID 164594588) is 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]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]imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2cn3cnc(C(N)=O)c3cn2)c1F.
What is the InChIKey of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is NACAWLRXHGOIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N6O4S/c1-32-19-14(4-9(20)5-25-19)33(30,31)27-11-3-2-10(21)15(16(11)22)12-7-28-8-26-17(18(23)29)13(28)6-24-12/h2-8,27H,1H3,(H2,23,29).
What are the key properties of 6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxamide?
6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 494.87 g/mol, XLogP of 2.63, 6 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]imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164594588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).