3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide

C20H15ClF2N6O4S — CID 164593750

IUPAC3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)cnc12
InChIInChI=1S/C20H15ClF2N6O4S/c1-24-19(30)17-18-25-6-10(8-29(18)9-27-17)15-12(22)3-4-13(16(15)23)28-34(31,32)14-5-11(21)7-26-20(14)33-2/h3-9,28H,1-2H3,(H,24,30)
InChIKeyWXGFRXUUUIMTGO-UHFFFAOYSA-N
MW508.89 g/mol
LogP2.89
Rot. Bonds6

About 3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide

3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 164593750) has the molecular formula C20H15ClF2N6O4S and a molecular weight of 508.89 g/mol. Its IUPAC name is 3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID164593750
Molecular FormulaC20H15ClF2N6O4S
Molecular Weight508.89 g/mol
Exact Mass508.05
IUPAC Name3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)cnc12
InChIInChI=1S/C20H15ClF2N6O4S/c1-24-19(30)17-18-25-6-10(8-29(18)9-27-17)15-12(22)3-4-13(16(15)23)28-34(31,32)14-5-11(21)7-26-20(14)33-2/h3-9,28H,1-2H3,(H,24,30)
InChIKeyWXGFRXUUUIMTGO-UHFFFAOYSA-N
XLogP2.89
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.89
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(5-(2,4-difluorophenylsulfonamido)-6-methoxypyridin-3-yl)-N-(2-morpholino ethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 141518981
Hibercell GCN2 inhibitor HC-7366
CID 164593978
6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 141518989
6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 145969841
6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 145978244
2,4-difluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 70798867
3-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 70798869
4-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 70798870
2-fluoro-N-[2-methoxy-5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 71037771
6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-N-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155540128
(6R)-6-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 164593833
6-[2,6-difluoro-3-(5-fluoro-2-methoxypyridine-3-sulfonamido)phenyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 164594100

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide (CID 164593750) is 3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide is CNC(=O)c1ncn2cc(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)cnc12.
What is the InChIKey of 3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is WXGFRXUUUIMTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N6O4S/c1-24-19(30)17-18-25-6-10(8-29(18)9-27-17)15-12(22)3-4-13(16(15)23)28-34(31,32)14-5-11(21)7-26-20(14)33-2/h3-9,28H,1-2H3,(H,24,30).
What are the key properties of 3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide?
3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 508.89 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-chloro-2-methoxy-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 164593750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).