N-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide

C19H13ClFN7O2S — CID 170078775

IUPACN-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3c(N)nccn23)c1F
InChIInChI=1S/C19H13ClFN7O2S/c1-11-15(8-13(20)9-25-11)31(29,30)27-18-16(21)12(4-5-24-18)2-3-14-10-26-19-17(22)23-6-7-28(14)19/h4-10H,1H3,(H2,22,23)(H,24,27)
InChIKeyXOFWOPIADFQWLI-UHFFFAOYSA-N
MW457.88 g/mol
LogP2.40
Rot. Bonds3

About N-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide

N-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide (PubChem CID 170078775) has the molecular formula C19H13ClFN7O2S and a molecular weight of 457.88 g/mol. Its IUPAC name is N-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide
PubChem CID170078775
Molecular FormulaC19H13ClFN7O2S
Molecular Weight457.88 g/mol
Exact Mass457.05
IUPAC NameN-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide
SMILESCc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3c(N)nccn23)c1F
InChIInChI=1S/C19H13ClFN7O2S/c1-11-15(8-13(20)9-25-11)31(29,30)27-18-16(21)12(4-5-24-18)2-3-14-10-26-19-17(22)23-6-7-28(14)19/h4-10H,1H3,(H2,22,23)(H,24,27)
InChIKeyXOFWOPIADFQWLI-UHFFFAOYSA-N
XLogP2.40
TPSA128.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.88
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[3-fluoro-4-(2-quinoxalin-2-ylethynyl)-2-pyridinyl]-2-methylpyridine-3-sulfonamide
CID 170078771
5-chloro-N-[3-fluoro-4-[2-(1-methylimidazo[4,5-c]pyridin-7-yl)ethynyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide
CID 163682206
N-[4-[2-(2-aminopyrimidin-5-yl)ethynyl]-3-fluoro-2-pyridinyl]-2,5-dichloro-3-(hydroxymethyl)benzenesulfonamide
CID 168678333
N-[3-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 164593334
5-chloro-N-[3-fluoro-4-[2-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-2-pyridinyl]-2-methoxypyridine-3-sulfonamide
CID 166889391
2-[3-[(5-chloro-2-methyl-3-pyridinyl)sulfonylamino]-2,6-difluorophenyl]-N-methylimidazo[1,5-b]pyridazine-5-carboxamide
CID 164594614
5-chloro-N-[2,4-difluoro-3-[2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrimidin-5-yl]ethynyl]phenyl]-2-methylpyridine-3-sulfonamide
CID 138675697
5-amino-N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 103093919
N-[3-[2-(2-amino-4-pyridin-4-ylpyrimidin-5-yl)ethynyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
CID 177211869
N-[3-[2-(5-amino-6-methylpyrazin-2-yl)ethynyl]-2,4-difluorophenyl]-5-chloro-3-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 138675775
5-chloro-N-(3-chloro-4-iodo-2-pyridinyl)-2-methoxypyridine-3-sulfonamide
CID 166889033
2-amino-N-(2-tert-butylpyrimidin-5-yl)-5-chloropyridine-3-sulfonamide
CID 136517667

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide?
The IUPAC name of N-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide (CID 170078775) is N-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide is Cc1ncc(Cl)cc1S(=O)(=O)Nc1nccc(C#Cc2cnc3c(N)nccn23)c1F.
What is the InChIKey of N-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide?
The InChIKey is XOFWOPIADFQWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN7O2S/c1-11-15(8-13(20)9-25-11)31(29,30)27-18-16(21)12(4-5-24-18)2-3-14-10-26-19-17(22)23-6-7-28(14)19/h4-10H,1H3,(H2,22,23)(H,24,27).
What are the key properties of N-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide?
N-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide has a molecular weight of 457.88 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(8-aminoimidazo[1,2-a]pyrazin-3-yl)ethynyl]-3-fluoro-2-pyridinyl]-5-chloro-2-methylpyridine-3-sulfonamide is sourced from PubChem (CID 170078775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).