1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one

C23H24FN3O2 — CID 155667182

IUPAC1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCC(c2c3ccc(-c4c(F)cccc4OC)cc3nn2C)C1
InChIInChI=1S/C23H24FN3O2/c1-4-21(28)27-12-6-7-16(14-27)23-17-11-10-15(13-19(17)25-26(23)2)22-18(24)8-5-9-20(22)29-3/h4-5,8-11,13,16H,1,6-7,12,14H2,2-3H3
InChIKeyPGEPHYFXGXRGCZ-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.28
Rot. Bonds4

About 1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one

1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 155667182) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one
PubChem CID155667182
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCC(c2c3ccc(-c4c(F)cccc4OC)cc3nn2C)C1
InChIInChI=1S/C23H24FN3O2/c1-4-21(28)27-12-6-7-16(14-27)23-17-11-10-15(13-19(17)25-26(23)2)22-18(24)8-5-9-20(22)29-3/h4-5,8-11,13,16H,1,6-7,12,14H2,2-3H3
InChIKeyPGEPHYFXGXRGCZ-UHFFFAOYSA-N
XLogP4.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]pyrrolidine-1-carboxylate
CID 175056416
1-[4-[5-(2-fluoro-6-methoxyphenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 155667197
5-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175056064
6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-(1-prop-2-enoylpiperidin-3-yl)quinazolin-4-one
CID 126491907
1-[3-[6-(2-fluoro-6-hydroxyphenyl)benzimidazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 135280472
1-[3-[[6-(3-fluorophenyl)-2-methylindazol-3-yl]amino]azetidin-1-yl]prop-2-en-1-one
CID 155667178
1-[(3R)-4-[6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 122602009
1-[(3R)-4-[6-fluoro-7-(2-fluoro-6-methoxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 165388997
1-[4-[2-ethyl-6-(2-methoxyphenyl)indazol-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 155667117
1-[4-[2-(2-fluoro-6-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166410765
1-[3-[3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-hydroxypyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130247909
1-[3-[6-(2-fluorophenyl)indazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 155667105

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one (CID 155667182) is 1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCC(c2c3ccc(-c4c(F)cccc4OC)cc3nn2C)C1.
What is the InChIKey of 1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is PGEPHYFXGXRGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-4-21(28)27-12-6-7-16(14-27)23-17-11-10-15(13-19(17)25-26(23)2)22-18(24)8-5-9-20(22)29-3/h4-5,8-11,13,16H,1,6-7,12,14H2,2-3H3.
What are the key properties of 1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one?
1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 393.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(2-fluoro-6-methoxyphenyl)-2-methylindazol-3-yl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 155667182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).