N-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine

C24H26N6O2S — CID 155526318

IUPACN-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine
SMILESCS(=O)(=O)c1ccccc1CNc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1
InChIInChI=1S/C24H26N6O2S/c1-33(31,32)22-5-3-2-4-17(22)15-26-19-7-8-21-20(14-19)24(29-28-21)18-6-9-23(27-16-18)30-12-10-25-11-13-30/h2-9,14,16,25-26H,10-13,15H2,1H3,(H,28,29)
InChIKeyZYSHBBKDKYNZGL-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.05
Rot. Bonds6

About N-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine

N-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine (PubChem CID 155526318) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine
PubChem CID155526318
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC NameN-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine
SMILESCS(=O)(=O)c1ccccc1CNc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1
InChIInChI=1S/C24H26N6O2S/c1-33(31,32)22-5-3-2-4-17(22)15-26-19-7-8-21-20(14-19)24(29-28-21)18-6-9-23(27-16-18)30-12-10-25-11-13-30/h2-9,14,16,25-26H,10-13,15H2,1H3,(H,28,29)
InChIKeyZYSHBBKDKYNZGL-UHFFFAOYSA-N
XLogP3.05
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine?
The IUPAC name of N-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine (CID 155526318) is N-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine.
What is the SMILES notation for N-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine?
The canonical SMILES for N-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine is CS(=O)(=O)c1ccccc1CNc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1.
What is the InChIKey of N-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine?
The InChIKey is ZYSHBBKDKYNZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-33(31,32)22-5-3-2-4-17(22)15-26-19-7-8-21-20(14-19)24(29-28-21)18-6-9-23(27-16-18)30-12-10-25-11-13-30/h2-9,14,16,25-26H,10-13,15H2,1H3,(H,28,29).
What are the key properties of N-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine?
N-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine has a molecular weight of 462.58 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine is sourced from PubChem (CID 155526318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).