1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

C20H24ClFN4O — CID 166339713

IUPAC1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESO=C(CCc1n[nH]c2c1CCCC2)N1CCN(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C20H24ClFN4O/c21-16-13-14(22)5-7-19(16)25-9-11-26(12-10-25)20(27)8-6-18-15-3-1-2-4-17(15)23-24-18/h5,7,13H,1-4,6,8-12H2,(H,23,24)
InChIKeyMTNSWDXKEDQELE-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.36
Rot. Bonds4

About 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (PubChem CID 166339713) has the molecular formula C20H24ClFN4O and a molecular weight of 390.89 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
PubChem CID166339713
Molecular FormulaC20H24ClFN4O
Molecular Weight390.89 g/mol
Exact Mass390.16
IUPAC Name1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
SMILESO=C(CCc1n[nH]c2c1CCCC2)N1CCN(c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C20H24ClFN4O/c21-16-13-14(22)5-7-19(16)25-9-11-26(12-10-25)20(27)8-6-18-15-3-1-2-4-17(15)23-24-18/h5,7,13H,1-4,6,8-12H2,(H,23,24)
InChIKeyMTNSWDXKEDQELE-UHFFFAOYSA-N
XLogP3.36
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-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

1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 50978554
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1-thiomorpholin-4-ylpropan-1-one
CID 74240901
1-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 124992756
1-(3-pyridin-2-ylazetidin-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 56901930
1-[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 56714261
9,9-dimethyl-3-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 138806190
1-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 162638915
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate
CID 7236613
4-ethyl-3-[1-[3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50950603
1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 166623506
1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 72930013

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one (CID 166339713) is 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is O=C(CCc1n[nH]c2c1CCCC2)N1CCN(c2ccc(F)cc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
The InChIKey is MTNSWDXKEDQELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O/c21-16-13-14(22)5-7-19(16)25-9-11-26(12-10-25)20(27)8-6-18-15-3-1-2-4-17(15)23-24-18/h5,7,13H,1-4,6,8-12H2,(H,23,24).
What are the key properties of 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one?
1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one has a molecular weight of 390.89 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one is sourced from PubChem (CID 166339713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).