N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

C20H24N4O2S — CID 25009704

IUPACN-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCS(=O)(=O)c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C20H24N4O2S/c1-27(25,26)19-6-2-4-15(10-19)13-24-9-3-5-18(14-24)22-17-7-8-20-16(11-17)12-21-23-20/h2,4,6-8,10-12,18,22H,3,5,9,13-14H2,1H3,(H,21,23)
InChIKeyOLGYHXPKEZCVEP-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.04
Rot. Bonds5

About N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 25009704) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID25009704
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESCS(=O)(=O)c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C20H24N4O2S/c1-27(25,26)19-6-2-4-15(10-19)13-24-9-3-5-18(14-24)22-17-7-8-20-16(11-17)12-21-23-20/h2,4,6-8,10-12,18,22H,3,5,9,13-14H2,1H3,(H,21,23)
InChIKeyOLGYHXPKEZCVEP-UHFFFAOYSA-N
XLogP3.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine 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

Rho-Kinase-IN-1
CID 25008330
Way-255315
CID 10430623
5-(2-phenethylpiperazin-1-yl)-1H-indazole
CID 49798218
5-(4-Methylpiperazin-1-yl)-3-tosyl-1H-indazole
CID 49836621
1-(Benzenesulfonyl)-4-piperazin-1-ylindazole
CID 9840981
5-(4-Methylpiperazin-1-yl)-3-(m-tolylsulfonyl)-1H-indazole
CID 49836620
4-(piperazin-1-yl)-3-tosyl-1H-indazole
CID 49836506
6-(piperazin-1-yl)-3-tosyl-1H-indazole
CID 49836719
3-naphthalen-1-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 50993932
3-naphthalen-2-ylsulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 53318145
3-(3-methylphenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine;hydrochloride
CID 53319477
N-piperidin-4-yl-3-(4-propan-2-ylphenyl)sulfonyl-2H-indazol-5-amine;hydrochloride
CID 53323442

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 25009704) is N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is CS(=O)(=O)c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is OLGYHXPKEZCVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-27(25,26)19-6-2-4-15(10-19)13-24-9-3-5-18(14-24)22-17-7-8-20-16(11-17)12-21-23-20/h2,4,6-8,10-12,18,22H,3,5,9,13-14H2,1H3,(H,21,23).
What are the key properties of N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 384.51 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylsulfonylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 25009704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).