6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide

C20H14ClF3N6O3S — CID 164593845

IUPAC6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)c1ncn2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4C)c3F)ncc12
InChIInChI=1S/C20H14ClF3N6O3S/c1-9-14(5-10(21)6-26-9)34(32,33)29-12-4-3-11(22)15(16(12)23)18-19(24)30-8-28-17(20(31)25-2)13(30)7-27-18/h3-8,29H,1-2H3,(H,25,31)
InChIKeyIZWLMJPSECJYOS-UHFFFAOYSA-N
MW510.89 g/mol
LogP3.33
Rot. Bonds5

About 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide

6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 164593845) has the molecular formula C20H14ClF3N6O3S and a molecular weight of 510.89 g/mol. Its IUPAC name is 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID164593845
Molecular FormulaC20H14ClF3N6O3S
Molecular Weight510.89 g/mol
Exact Mass510.05
IUPAC Name6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)c1ncn2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4C)c3F)ncc12
InChIInChI=1S/C20H14ClF3N6O3S/c1-9-14(5-10(21)6-26-9)34(32,33)29-12-4-3-11(22)15(16(12)23)18-19(24)30-8-28-17(20(31)25-2)13(30)7-27-18/h3-8,29H,1-2H3,(H,25,31)
InChIKeyIZWLMJPSECJYOS-UHFFFAOYSA-N
XLogP3.33
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.89
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide (CID 164593845) is 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide is CNC(=O)c1ncn2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4C)c3F)ncc12.
What is the InChIKey of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is IZWLMJPSECJYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N6O3S/c1-9-14(5-10(21)6-26-9)34(32,33)29-12-4-3-11(22)15(16(12)23)18-19(24)30-8-28-17(20(31)25-2)13(30)7-27-18/h3-8,29H,1-2H3,(H,25,31).
What are the key properties of 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide?
6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 510.89 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-5-fluoro-N-methylimidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 164593845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).