N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide

C22H20F3N7O3S — CID 164593684

IUPACN-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c([C@@H]2CCc3c(-c4n[nH]c(C)n4)ncn3C2)c1F
InChIInChI=1S/C22H20F3N7O3S/c1-11-28-21(30-29-11)20-16-6-3-12(9-32(16)10-27-20)18-14(24)4-5-15(19(18)25)31-36(33,34)17-7-13(23)8-26-22(17)35-2/h4-5,7-8,10,12,31H,3,6,9H2,1-2H3,(H,28,29,30)/t12-/m1/s1
InChIKeyKVLVFXCMUKSEDO-GFCCVEGCSA-N
MW519.51 g/mol
LogP3.33
Rot. Bonds6

About N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide

N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide (PubChem CID 164593684) has the molecular formula C22H20F3N7O3S and a molecular weight of 519.51 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
PubChem CID164593684
Molecular FormulaC22H20F3N7O3S
Molecular Weight519.51 g/mol
Exact Mass519.13
IUPAC NameN-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c([C@@H]2CCc3c(-c4n[nH]c(C)n4)ncn3C2)c1F
InChIInChI=1S/C22H20F3N7O3S/c1-11-28-21(30-29-11)20-16-6-3-12(9-32(16)10-27-20)18-14(24)4-5-15(19(18)25)31-36(33,34)17-7-13(23)8-26-22(17)35-2/h4-5,7-8,10,12,31H,3,6,9H2,1-2H3,(H,28,29,30)/t12-/m1/s1
InChIKeyKVLVFXCMUKSEDO-GFCCVEGCSA-N
XLogP3.33
TPSA127.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
The IUPAC name of N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide (CID 164593684) is N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide is COc1ncc(F)cc1S(=O)(=O)Nc1ccc(F)c([C@@H]2CCc3c(-c4n[nH]c(C)n4)ncn3C2)c1F.
What is the InChIKey of N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
The InChIKey is KVLVFXCMUKSEDO-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H20F3N7O3S/c1-11-28-21(30-29-11)20-16-6-3-12(9-32(16)10-27-20)18-14(24)4-5-15(19(18)25)31-36(33,34)17-7-13(23)8-26-22(17)35-2/h4-5,7-8,10,12,31H,3,6,9H2,1-2H3,(H,28,29,30)/t12-/m1/s1.
What are the key properties of N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide?
N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide has a molecular weight of 519.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-3-[(6S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]phenyl]-5-fluoro-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 164593684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).