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

C19H14FN7O2 — CID 71279308

IUPAC2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(CCn4cccn4)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H14FN7O2/c20-11-2-3-12-15(8-11)27(7-6-26-5-1-4-23-26)25-16(12)14-10-22-18-17(24-14)13(9-21-18)19(28)29/h1-5,8-10H,6-7H2,(H,21,22)(H,28,29)
InChIKeyPEPTYCVKJHNWOU-UHFFFAOYSA-N
MW391.37 g/mol
LogP2.71
Rot. Bonds5

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

2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71279308) has the molecular formula C19H14FN7O2 and a molecular weight of 391.37 g/mol. Its IUPAC name is 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71279308
Molecular FormulaC19H14FN7O2
Molecular Weight391.37 g/mol
Exact Mass391.12
IUPAC Name2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(CCn4cccn4)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H14FN7O2/c20-11-2-3-12-15(8-11)27(7-6-26-5-1-4-23-26)25-16(12)14-10-22-18-17(24-14)13(9-21-18)19(28)29/h1-5,8-10H,6-7H2,(H,21,22)(H,28,29)
InChIKeyPEPTYCVKJHNWOU-UHFFFAOYSA-N
XLogP2.71
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
CID 57378954
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-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71279308) is 2-[6-fluoro-1-(2-pyrazol-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-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(-c3nn(CCn4cccn4)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is PEPTYCVKJHNWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7O2/c20-11-2-3-12-15(8-11)27(7-6-26-5-1-4-23-26)25-16(12)14-10-22-18-17(24-14)13(9-21-18)19(28)29/h1-5,8-10H,6-7H2,(H,21,22)(H,28,29).
What are the key properties of 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 391.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71279308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).