potassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide

C20H14ClF2KN6O4S — CID 175956619

IUPACpotassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc([N-]S(=O)(=O)c4cc(Cl)cnc4OC)c3F)ncc12.[K+]
InChIInChI=1S/C20H14ClF2N6O4S.K/c1-24-19(30)18-14-7-25-13(8-29(14)9-27-18)16-11(22)3-4-12(17(16)23)28-34(31,32)15-5-10(21)6-26-20(15)33-2;/h3-9H,1-2H3,(H,24,30);/q-1;+1
InChIKeyZVXUKWPPNMHERD-UHFFFAOYSA-N
MW546.98 g/mol
LogP0.49
Rot. Bonds6

About potassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide

potassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide (PubChem CID 175956619) has the molecular formula C20H14ClF2KN6O4S and a molecular weight of 546.98 g/mol. Its IUPAC name is potassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide.

Molecular Properties

Compound Namepotassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide
PubChem CID175956619
Molecular FormulaC20H14ClF2KN6O4S
Molecular Weight546.98 g/mol
Exact Mass546.01
IUPAC Namepotassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc([N-]S(=O)(=O)c4cc(Cl)cnc4OC)c3F)ncc12.[K+]
InChIInChI=1S/C20H14ClF2N6O4S.K/c1-24-19(30)18-14-7-25-13(8-29(14)9-27-18)16-11(22)3-4-12(17(16)23)28-34(31,32)15-5-10(21)6-26-20(15)33-2;/h3-9H,1-2H3,(H,24,30);/q-1;+1
InChIKeyZVXUKWPPNMHERD-UHFFFAOYSA-N
XLogP0.49
TPSA129.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.98
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of potassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide?
The IUPAC name of potassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide (CID 175956619) is potassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide.
What is the SMILES notation for potassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide?
The canonical SMILES for potassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide is CNC(=O)c1ncn2cc(-c3c(F)ccc([N-]S(=O)(=O)c4cc(Cl)cnc4OC)c3F)ncc12.[K+].
What is the InChIKey of potassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide?
The InChIKey is ZVXUKWPPNMHERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N6O4S.K/c1-24-19(30)18-14-7-25-13(8-29(14)9-27-18)16-11(22)3-4-12(17(16)23)28-34(31,32)15-5-10(21)6-26-20(15)33-2;/h3-9H,1-2H3,(H,24,30);/q-1;+1.
What are the key properties of potassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide?
potassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide has a molecular weight of 546.98 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (5-chloro-2-methoxy-3-pyridinyl)sulfonyl-[2,4-difluoro-3-[1-(methylcarbamoyl)imidazo[1,5-a]pyrazin-6-yl]phenyl]azanide is sourced from PubChem (CID 175956619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).