2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid

C19H14FN5O2 — CID 70660727

IUPAC2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid
SMILESCN(c1cccnc1)c1nc2[nH]c(C(=O)O)cc2nc1-c1ccc(F)cc1
InChIInChI=1S/C19H14FN5O2/c1-25(13-3-2-8-21-10-13)18-16(11-4-6-12(20)7-5-11)22-14-9-15(19(26)27)23-17(14)24-18/h2-10H,1H3,(H,23,24)(H,26,27)
InChIKeyXIXGYHSOLBCLGV-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.63
Rot. Bonds4

About 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid

2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 70660727) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid
PubChem CID70660727
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid
SMILESCN(c1cccnc1)c1nc2[nH]c(C(=O)O)cc2nc1-c1ccc(F)cc1
InChIInChI=1S/C19H14FN5O2/c1-25(13-3-2-8-21-10-13)18-16(11-4-6-12(20)7-5-11)22-14-9-15(19(26)27)23-17(14)24-18/h2-10H,1H3,(H,23,24)(H,26,27)
InChIKeyXIXGYHSOLBCLGV-UHFFFAOYSA-N
XLogP3.63
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid (CID 70660727) is 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid is CN(c1cccnc1)c1nc2[nH]c(C(=O)O)cc2nc1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is XIXGYHSOLBCLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2/c1-25(13-3-2-8-21-10-13)18-16(11-4-6-12(20)7-5-11)22-14-9-15(19(26)27)23-17(14)24-18/h2-10H,1H3,(H,23,24)(H,26,27).
What are the key properties of 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid?
2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 363.35 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 70660727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).