[2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

C19H16ClFN6OS — CID 144540260

IUPAC[2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESC[C@H](NC(=O)c1cn(SF)c2ncc(-n3ncc4cc(Cl)ccc43)nc12)C1CC1
InChIInChI=1S/C19H16ClFN6OS/c1-10(11-2-3-11)24-19(28)14-9-26(29-21)18-17(14)25-16(8-22-18)27-15-5-4-13(20)6-12(15)7-23-27/h4-11H,2-3H2,1H3,(H,24,28)/t10-/m0/s1
InChIKeyVCWVQMJRJIEEJO-JTQLQIEISA-N
MW430.90 g/mol
LogP4.33
Rot. Bonds5

About [2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite

[2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (PubChem CID 144540260) has the molecular formula C19H16ClFN6OS and a molecular weight of 430.90 g/mol. Its IUPAC name is [2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
PubChem CID144540260
Molecular FormulaC19H16ClFN6OS
Molecular Weight430.90 g/mol
Exact Mass430.08
IUPAC Name[2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
SMILESC[C@H](NC(=O)c1cn(SF)c2ncc(-n3ncc4cc(Cl)ccc43)nc12)C1CC1
InChIInChI=1S/C19H16ClFN6OS/c1-10(11-2-3-11)24-19(28)14-9-26(29-21)18-17(14)25-16(8-22-18)27-15-5-4-13(20)6-12(15)7-23-27/h4-11H,2-3H2,1H3,(H,24,28)/t10-/m0/s1
InChIKeyVCWVQMJRJIEEJO-JTQLQIEISA-N
XLogP4.33
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite;1-formylpiperidine-4-carbonitrile
CID 144540259
[7-[[2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]carbamoyl]-2-(5,6-dichloroindazol-1-yl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 126605936
[2-(6-chloro-1-methylindol-3-yl)-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite;1-formylazetidine-3-carbonitrile
CID 144540472
ethane;[2-[4-fluoro-2-(methylamino)benzenecarboximidoyl]-7-[1-(3-methylsulfanyloxycyclobutyl)ethylcarbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 144540417
[2-[4-chloro-2-(methylamino)benzenecarboximidoyl]-7-[[(3S)-3-hydroxybutan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite
CID 126605691
2-(5-chloroindazol-1-yl)-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-hydroxy-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71290411
5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
[2-bromo-7-[[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite;ethane
CID 144540323
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772
2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1S)-1-cyclopropylethanamine
CID 160712462
2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388670

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The IUPAC name of [2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite (CID 144540260) is [2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite.
What is the SMILES notation for [2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The canonical SMILES for [2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is C[C@H](NC(=O)c1cn(SF)c2ncc(-n3ncc4cc(Cl)ccc43)nc12)C1CC1.
What is the InChIKey of [2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
The InChIKey is VCWVQMJRJIEEJO-JTQLQIEISA-N. The full InChI is InChI=1S/C19H16ClFN6OS/c1-10(11-2-3-11)24-19(28)14-9-26(29-21)18-17(14)25-16(8-22-18)27-15-5-4-13(20)6-12(15)7-23-27/h4-11H,2-3H2,1H3,(H,24,28)/t10-/m0/s1.
What are the key properties of [2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite?
[2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite has a molecular weight of 430.90 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloroindazol-1-yl)-7-[[(1S)-1-cyclopropylethyl]carbamoyl]pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite is sourced from PubChem (CID 144540260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).