3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide

C17H16F3N5O2 — CID 170980516

IUPAC3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide
SMILESCC/C(=N\c1cn[nH]c1)c1c(O)[nH]c2ccc(C(=O)NCC(F)(F)F)cc12
InChIInChI=1S/C17H16F3N5O2/c1-2-12(24-10-6-22-23-7-10)14-11-5-9(3-4-13(11)25-16(14)27)15(26)21-8-17(18,19)20/h3-7,25,27H,2,8H2,1H3,(H,21,26)(H,22,23)/b24-12+
InChIKeyMAKZSBGLCRQKNX-WYMPLXKRSA-N
MW379.34 g/mol
LogP3.42
Rot. Bonds5

About 3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide

3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide (PubChem CID 170980516) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide
PubChem CID170980516
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide
SMILESCC/C(=N\c1cn[nH]c1)c1c(O)[nH]c2ccc(C(=O)NCC(F)(F)F)cc12
InChIInChI=1S/C17H16F3N5O2/c1-2-12(24-10-6-22-23-7-10)14-11-5-9(3-4-13(11)25-16(14)27)15(26)21-8-17(18,19)20/h3-7,25,27H,2,8H2,1H3,(H,21,26)(H,22,23)/b24-12+
InChIKeyMAKZSBGLCRQKNX-WYMPLXKRSA-N
XLogP3.42
TPSA106.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide 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 3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide?
The IUPAC name of 3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide (CID 170980516) is 3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide?
The canonical SMILES for 3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide is CC/C(=N\c1cn[nH]c1)c1c(O)[nH]c2ccc(C(=O)NCC(F)(F)F)cc12.
What is the InChIKey of 3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide?
The InChIKey is MAKZSBGLCRQKNX-WYMPLXKRSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-2-12(24-10-6-22-23-7-10)14-11-5-9(3-4-13(11)25-16(14)27)15(26)21-8-17(18,19)20/h3-7,25,27H,2,8H2,1H3,(H,21,26)(H,22,23)/b24-12+.
What are the key properties of 3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide?
3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[C-ethyl-N-(1H-pyrazol-4-yl)carbonimidoyl]-2-hydroxy-N-(2,2,2-trifluoroethyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 170980516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).