2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

C21H19FN6O — CID 163451974

IUPAC2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCCc1cc(N=O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNCC4)n[nH]c2c1
InChIInChI=1S/C21H19FN6O/c1-2-11-7-18(28-29)15(22)9-14(11)12-3-4-13-17(8-12)26-27-20(13)21-24-16-5-6-23-10-19(16)25-21/h3-4,7-9,23H,2,5-6,10H2,1H3,(H,24,25)(H,26,27)
InChIKeyBHJGVQFPHZIMFE-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.37
Rot. Bonds4

About 2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (PubChem CID 163451974) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
PubChem CID163451974
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
SMILESCCc1cc(N=O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNCC4)n[nH]c2c1
InChIInChI=1S/C21H19FN6O/c1-2-11-7-18(28-29)15(22)9-14(11)12-3-4-13-17(8-12)26-27-20(13)21-24-16-5-6-23-10-19(16)25-21/h3-4,7-9,23H,2,5-6,10H2,1H3,(H,24,25)(H,26,27)
InChIKeyBHJGVQFPHZIMFE-UHFFFAOYSA-N
XLogP4.37
TPSA98.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine 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-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine (CID 163451974) is 2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is CCc1cc(N=O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNCC4)n[nH]c2c1.
What is the InChIKey of 2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is BHJGVQFPHZIMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-2-11-7-18(28-29)15(22)9-14(11)12-3-4-13-17(8-12)26-27-20(13)21-24-16-5-6-23-10-19(16)25-21/h3-4,7-9,23H,2,5-6,10H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine?
2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine has a molecular weight of 390.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-ethyl-5-fluoro-4-nitrosophenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 163451974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).