N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide

C20H17ClF2N6O3S — CID 164593334

IUPACN-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(CCc2cnc3c(N)nccn23)c1F
InChIInChI=1S/C20H17ClF2N6O3S/c1-32-20-16(8-11(21)9-27-20)33(30,31)28-15-5-4-14(22)13(17(15)23)3-2-12-10-26-19-18(24)25-6-7-29(12)19/h4-10,28H,2-3H2,1H3,(H2,24,25)
InChIKeyVSCVGIYYGZVDAE-UHFFFAOYSA-N
MW494.91 g/mol
LogP3.23
Rot. Bonds7

About N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide

N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide (PubChem CID 164593334) has the molecular formula C20H17ClF2N6O3S and a molecular weight of 494.91 g/mol. Its IUPAC name is N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
PubChem CID164593334
Molecular FormulaC20H17ClF2N6O3S
Molecular Weight494.91 g/mol
Exact Mass494.07
IUPAC NameN-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(CCc2cnc3c(N)nccn23)c1F
InChIInChI=1S/C20H17ClF2N6O3S/c1-32-20-16(8-11(21)9-27-20)33(30,31)28-15-5-4-14(22)13(17(15)23)3-2-12-10-26-19-18(24)25-6-7-29(12)19/h4-10,28H,2-3H2,1H3,(H2,24,25)
InChIKeyVSCVGIYYGZVDAE-UHFFFAOYSA-N
XLogP3.23
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.91
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?
The IUPAC name of N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide (CID 164593334) is N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(CCc2cnc3c(N)nccn23)c1F.
What is the InChIKey of N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?
The InChIKey is VSCVGIYYGZVDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N6O3S/c1-32-20-16(8-11(21)9-27-20)33(30,31)28-15-5-4-14(22)13(17(15)23)3-2-12-10-26-19-18(24)25-6-7-29(12)19/h4-10,28H,2-3H2,1H3,(H2,24,25).
What are the key properties of N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?
N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide has a molecular weight of 494.91 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 164593334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).