2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C20H19FN6O2 — CID 71280632

IUPAC2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(CCN4CCCC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C20H19FN6O2/c21-12-3-4-13-16(9-12)27(8-7-26-5-1-2-6-26)25-17(13)15-11-23-19-18(24-15)14(10-22-19)20(28)29/h3-4,9-11H,1-2,5-8H2,(H,22,23)(H,28,29)
InChIKeyISMVTDNQUZOOEI-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.91
Rot. Bonds5

About 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280632) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71280632
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(CCN4CCCC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C20H19FN6O2/c21-12-3-4-13-16(9-12)27(8-7-26-5-1-2-6-26)25-17(13)15-11-23-19-18(24-15)14(10-22-19)20(28)29/h3-4,9-11H,1-2,5-8H2,(H,22,23)(H,28,29)
InChIKeyISMVTDNQUZOOEI-UHFFFAOYSA-N
XLogP2.91
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

3-[(1-Cyclopentyl-5-fluoroindazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282772
3-({1-[2-(4,4-Difluoropiperidin-1-Yl)ethyl]-5-Fluoro-1h-Indazol-3-Yl}amino)pyridine-4-Carboxylic Acid
CID 90216621
5-(2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67775229
1-[7-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl]pyrazole-3-carboxylic acid
CID 25024122
US10040779, Example 1
CID 76282043
SSTR3-Antagonist-3A
CID 86279005
5-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-3-carboxylic acid
CID 118710534
4-(1-benzyl-1H-indazol-5-ylamino)-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 16730263
2-(1,6-dimethyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
CID 71279311
2-(5-hydroxymethyl-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
CID 71279453
N-(5-aminooxan-3-yl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279494
N-tert-butyl-2-(1-(3,4-dihydroxybutyl)-6-fluoro-1H-indazol-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
CID 71279543

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280632) is 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(-c3nn(CCN4CCCC4)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is ISMVTDNQUZOOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c21-12-3-4-13-16(9-12)27(8-7-26-5-1-2-6-26)25-17(13)15-11-23-19-18(24-15)14(10-22-19)20(28)29/h3-4,9-11H,1-2,5-8H2,(H,22,23)(H,28,29).
What are the key properties of 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 394.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).