2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid

C18H19FN4O2 — CID 166268204

IUPAC2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c3c(c2c1)CN(Cc1ccn(CCF)n1)CC3
InChIInChI=1S/C18H19FN4O2/c19-5-8-23-7-3-13(21-23)10-22-6-4-17-15(11-22)14-9-12(18(24)25)1-2-16(14)20-17/h1-3,7,9,20H,4-6,8,10-11H2,(H,24,25)
InChIKeyNURUDRXINVUNDY-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.59
Rot. Bonds5

About 2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid

2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid (PubChem CID 166268204) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
PubChem CID166268204
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c3c(c2c1)CN(Cc1ccn(CCF)n1)CC3
InChIInChI=1S/C18H19FN4O2/c19-5-8-23-7-3-13(21-23)10-22-6-4-17-15(11-22)14-9-12(18(24)25)1-2-16(14)20-17/h1-3,7,9,20H,4-6,8,10-11H2,(H,24,25)
InChIKeyNURUDRXINVUNDY-UHFFFAOYSA-N
XLogP2.59
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-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-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid?
The IUPAC name of 2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid (CID 166268204) is 2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid.
What is the SMILES notation for 2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid?
The canonical SMILES for 2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid is O=C(O)c1ccc2[nH]c3c(c2c1)CN(Cc1ccn(CCF)n1)CC3.
What is the InChIKey of 2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid?
The InChIKey is NURUDRXINVUNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-5-8-23-7-3-13(21-23)10-22-6-4-17-15(11-22)14-9-12(18(24)25)1-2-16(14)20-17/h1-3,7,9,20H,4-6,8,10-11H2,(H,24,25).
What are the key properties of 2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid?
2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid has a molecular weight of 342.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid is sourced from PubChem (CID 166268204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).