2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C18H17FN6O2 — CID 71279882

IUPAC2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCN(C)CCn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccc(F)cc21
InChIInChI=1S/C18H17FN6O2/c1-24(2)5-6-25-14-7-10(19)3-4-11(14)15(23-25)13-9-21-17-16(22-13)12(8-20-17)18(26)27/h3-4,7-9H,5-6H2,1-2H3,(H,20,21)(H,26,27)
InChIKeyJQJSUWHCZAGLCM-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.37
Rot. Bonds5

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

2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71279882) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71279882
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCN(C)CCn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccc(F)cc21
InChIInChI=1S/C18H17FN6O2/c1-24(2)5-6-25-14-7-10(19)3-4-11(14)15(23-25)13-9-21-17-16(22-13)12(8-20-17)18(26)27/h3-4,7-9H,5-6H2,1-2H3,(H,20,21)(H,26,27)
InChIKeyJQJSUWHCZAGLCM-UHFFFAOYSA-N
XLogP2.37
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71279882) is 2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is CN(C)CCn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccc(F)cc21.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is JQJSUWHCZAGLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-24(2)5-6-25-14-7-10(19)3-4-11(14)15(23-25)13-9-21-17-16(22-13)12(8-20-17)18(26)27/h3-4,7-9H,5-6H2,1-2H3,(H,20,21)(H,26,27).
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 368.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71279882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).