2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C15H9F2N5O2 — CID 71280513

IUPAC2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2cc(F)c(F)cc21
InChIInChI=1S/C15H9F2N5O2/c1-22-11-3-9(17)8(16)2-6(11)12(21-22)10-5-19-14-13(20-10)7(4-18-14)15(23)24/h2-5H,1H3,(H,18,19)(H,23,24)
InChIKeyHCZMVOOOEJRTEJ-UHFFFAOYSA-N
MW329.27 g/mol
LogP2.49
Rot. Bonds2

About 2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280513) has the molecular formula C15H9F2N5O2 and a molecular weight of 329.27 g/mol. Its IUPAC name is 2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71280513
Molecular FormulaC15H9F2N5O2
Molecular Weight329.27 g/mol
Exact Mass329.07
IUPAC Name2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2cc(F)c(F)cc21
InChIInChI=1S/C15H9F2N5O2/c1-22-11-3-9(17)8(16)2-6(11)12(21-22)10-5-19-14-13(20-10)7(4-18-14)15(23)24/h2-5H,1H3,(H,18,19)(H,23,24)
InChIKeyHCZMVOOOEJRTEJ-UHFFFAOYSA-N
XLogP2.49
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methoxy-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71279955
2-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-2-methylpropanoic acid
CID 71279570
2-(6-chloro-1-methylindazol-3-yl)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279368
2-(6-fluoro-1-methylindazol-3-yl)-N-[1-(hydroxymethyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279588
N-(2,2-dimethylpropyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71285672
2-(6-fluoro-1-methylindazol-3-yl)-N-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288469
2-(6-fluoro-1-methylindazol-3-yl)-N-(3-methylazetidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279486
N-(1-amino-2-methylpropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279985
N-(2-cyanopropan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280021
2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71279882
N-(1,3-dihydroxybutan-2-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 78050532
2-(6-chloro-1-methylindazol-3-yl)-N-[(2S,3S)-3-hydroxybutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288429

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280513) is 2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is Cn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2cc(F)c(F)cc21.
What is the InChIKey of 2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is HCZMVOOOEJRTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N5O2/c1-22-11-3-9(17)8(16)2-6(11)12(21-22)10-5-19-14-13(20-10)7(4-18-14)15(23)24/h2-5H,1H3,(H,18,19)(H,23,24).
What are the key properties of 2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 329.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).