1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone

C21H23N3OS — CID 14032651

IUPAC1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone
SMILESCSc1ccc2c(C3CCN(C(C)=O)CC3)nn(-c3ccccc3)c2c1
InChIInChI=1S/C21H23N3OS/c1-15(25)23-12-10-16(11-13-23)21-19-9-8-18(26-2)14-20(19)24(22-21)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3
InChIKeyWVMQYBBDDPWEDH-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.47
Rot. Bonds3

About 1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone

1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 14032651) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone
PubChem CID14032651
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone
SMILESCSc1ccc2c(C3CCN(C(C)=O)CC3)nn(-c3ccccc3)c2c1
InChIInChI=1S/C21H23N3OS/c1-15(25)23-12-10-16(11-13-23)21-19-9-8-18(26-2)14-20(19)24(22-21)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3
InChIKeyWVMQYBBDDPWEDH-UHFFFAOYSA-N
XLogP4.47
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone 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

4-[1-(4-fluorophenyl)indazol-3-yl]piperidine-1-carboxamide
CID 14032641
3-[(3-methylsulfanyl-1-phenylindazol-6-yl)carbamoylamino]pyrrolidine-1-carboxylic acid
CID 118072057
but-2-enedioic acid;6-fluoro-1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)indazole
CID 70358269
(E)-but-2-enedioic acid;1-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)indazole
CID 14032529
1-[4-(2-aminoquinazolin-4-yl)piperidin-1-yl]ethanone
CID 15428776
3-cyclopentyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 16779564
1-(3-methylsulfanyl-1-phenylindazol-6-yl)-3-piperidin-4-ylurea;hydrochloride
CID 67448261
1-[5-(4-methylsulfanylanilino)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
CID 167823778
4-[1-(2-carbamoylphenyl)indazol-3-yl]piperidine-1-carboxamide
CID 23048188
1-[4-[2-(4-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 50982933
2-[4-[1-(4-cyanophenyl)-6-[(E)-2-piperidin-4-ylethenyl]indazol-3-yl]piperidin-1-yl]acetic acid
CID 67701462
3-cyclopropyl-6-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25248176

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone (CID 14032651) is 1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone is CSc1ccc2c(C3CCN(C(C)=O)CC3)nn(-c3ccccc3)c2c1.
What is the InChIKey of 1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is WVMQYBBDDPWEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-15(25)23-12-10-16(11-13-23)21-19-9-8-18(26-2)14-20(19)24(22-21)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3.
What are the key properties of 1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone?
1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 365.50 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylsulfanyl-1-phenylindazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 14032651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).