4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one

C12H9F2N5OS — CID 145414201

IUPAC4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCc1cnc(Sc2ccnc3c2C(F)(F)C(=O)N3)c(N)n1
InChIInChI=1S/C12H9F2N5OS/c1-5-4-17-10(8(15)18-5)21-6-2-3-16-9-7(6)12(13,14)11(20)19-9/h2-4H,1H3,(H2,15,18)(H,16,19,20)
InChIKeyVTVXIAMUFONVSW-UHFFFAOYSA-N
MW309.30 g/mol
LogP1.96
Rot. Bonds2

About 4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one

4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 145414201) has the molecular formula C12H9F2N5OS and a molecular weight of 309.30 g/mol. Its IUPAC name is 4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID145414201
Molecular FormulaC12H9F2N5OS
Molecular Weight309.30 g/mol
Exact Mass309.05
IUPAC Name4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESCc1cnc(Sc2ccnc3c2C(F)(F)C(=O)N3)c(N)n1
InChIInChI=1S/C12H9F2N5OS/c1-5-4-17-10(8(15)18-5)21-6-2-3-16-9-7(6)12(13,14)11(20)19-9/h2-4H,1H3,(H2,15,18)(H,16,19,20)
InChIKeyVTVXIAMUFONVSW-UHFFFAOYSA-N
XLogP1.96
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one with MolForge

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Related Compounds

1-Ethyl-3-[6-(6-fluoro-3-pyridinyl)-4-methyl-5-oxo-[1,3]thiazolo[5,4-b]pyridin-2-yl]urea
CID 76310499
1-[4-(2,2-Difluoroethyl)-5-oxo-6-(3-pyridyl)thiazolo[5,4-b]pyridin-2-yl]-3-ethyl-urea
CID 76335930
8-[6-Amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-1-imino-2,8-diazaspiro[4.5]decan-3-one
CID 140765896
US12110299, Example 52
CID 146448995
US12110299, Example 45
CID 146448997
1-ethyl-3-[5-oxo-6-(3-pyridyl)-4H-thiazolo[5,4-b]pyridin-2-yl]urea
CID 86579484
N-[5-[2-(6-amino-3-pyridinyl)-5-methyl-1,3-thiazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 45280751
N-[5-[5-(trifluoromethyl)pyridin-3-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 46873666
5-[2-[[(2S)-2-amino-3-[6-(trifluoromethyl)pyridin-3-yl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 57634022
5-[2-[[2-Amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 76571235
5-[2-[[(2R)-2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-1,3-thiazol-5-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 87658133
N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide
CID 89322607

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one (CID 145414201) is 4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one is Cc1cnc(Sc2ccnc3c2C(F)(F)C(=O)N3)c(N)n1.
What is the InChIKey of 4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is VTVXIAMUFONVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N5OS/c1-5-4-17-10(8(15)18-5)21-6-2-3-16-9-7(6)12(13,14)11(20)19-9/h2-4H,1H3,(H2,15,18)(H,16,19,20).
What are the key properties of 4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one?
4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 309.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-methylpyrazin-2-yl)sulfanyl-3,3-difluoro-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 145414201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).