4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide

C24H25ClFN7O2 — CID 139348332

IUPAC4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1ccc(-c2nc(Nc3ccc4c(cnn4C4CCCCO4)c3Cl)n(C)n2)cc1F
InChIInChI=1S/C24H25ClFN7O2/c1-3-27-23(34)15-8-7-14(12-17(15)26)22-30-24(32(2)31-22)29-18-9-10-19-16(21(18)25)13-28-33(19)20-6-4-5-11-35-20/h7-10,12-13,20H,3-6,11H2,1-2H3,(H,27,34)(H,29,30,31)
InChIKeyANYRSEMUJDPVJY-UHFFFAOYSA-N
MW497.96 g/mol
LogP4.82
Rot. Bonds6

About 4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide

4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide (PubChem CID 139348332) has the molecular formula C24H25ClFN7O2 and a molecular weight of 497.96 g/mol. Its IUPAC name is 4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide
PubChem CID139348332
Molecular FormulaC24H25ClFN7O2
Molecular Weight497.96 g/mol
Exact Mass497.17
IUPAC Name4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide
SMILESCCNC(=O)c1ccc(-c2nc(Nc3ccc4c(cnn4C4CCCCO4)c3Cl)n(C)n2)cc1F
InChIInChI=1S/C24H25ClFN7O2/c1-3-27-23(34)15-8-7-14(12-17(15)26)22-30-24(32(2)31-22)29-18-9-10-19-16(21(18)25)13-28-33(19)20-6-4-5-11-35-20/h7-10,12-13,20H,3-6,11H2,1-2H3,(H,27,34)(H,29,30,31)
InChIKeyANYRSEMUJDPVJY-UHFFFAOYSA-N
XLogP4.82
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide 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 4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide?
The IUPAC name of 4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide (CID 139348332) is 4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for 4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide?
The canonical SMILES for 4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide is CCNC(=O)c1ccc(-c2nc(Nc3ccc4c(cnn4C4CCCCO4)c3Cl)n(C)n2)cc1F.
What is the InChIKey of 4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide?
The InChIKey is ANYRSEMUJDPVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN7O2/c1-3-27-23(34)15-8-7-14(12-17(15)26)22-30-24(32(2)31-22)29-18-9-10-19-16(21(18)25)13-28-33(19)20-6-4-5-11-35-20/h7-10,12-13,20H,3-6,11H2,1-2H3,(H,27,34)(H,29,30,31).
What are the key properties of 4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide?
4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide has a molecular weight of 497.96 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[4-chloro-1-(oxan-2-yl)indazol-5-yl]amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 139348332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).