N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide

C20H19FN4O — CID 177035215

IUPACN-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide
SMILESCn1ncc2c1c1ccccc1n2CC(=O)N(CCF)c1ccccc1
InChIInChI=1S/C20H19FN4O/c1-23-20-16-9-5-6-10-17(16)25(18(20)13-22-23)14-19(26)24(12-11-21)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3
InChIKeyDULJFLISMBTWLM-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.53
Rot. Bonds5

About N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide

N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide (PubChem CID 177035215) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide
PubChem CID177035215
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide
SMILESCn1ncc2c1c1ccccc1n2CC(=O)N(CCF)c1ccccc1
InChIInChI=1S/C20H19FN4O/c1-23-20-16-9-5-6-10-17(16)25(18(20)13-22-23)14-19(26)24(12-11-21)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3
InChIKeyDULJFLISMBTWLM-UHFFFAOYSA-N
XLogP3.53
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide 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 N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide?
The IUPAC name of N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide (CID 177035215) is N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide?
The canonical SMILES for N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide is Cn1ncc2c1c1ccccc1n2CC(=O)N(CCF)c1ccccc1.
What is the InChIKey of N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide?
The InChIKey is DULJFLISMBTWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-23-20-16-9-5-6-10-17(16)25(18(20)13-22-23)14-19(26)24(12-11-21)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3.
What are the key properties of N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide?
N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide has a molecular weight of 350.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)-N-phenylacetamide is sourced from PubChem (CID 177035215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).