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

C24H25FN6O2S — CID 155545104

IUPACN-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine
SMILESCS(=O)(=O)c1ccc(F)cc1CNc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1
InChIInChI=1S/C24H25FN6O2S/c1-34(32,33)22-6-3-18(25)12-17(22)15-27-19-4-5-21-20(13-19)24(30-29-21)16-2-7-23(28-14-16)31-10-8-26-9-11-31/h2-7,12-14,26-27H,8-11,15H2,1H3,(H,29,30)
InChIKeyXYXJGUFWOMYBSK-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.19
Rot. Bonds6

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

N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine (PubChem CID 155545104) has the molecular formula C24H25FN6O2S and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine
PubChem CID155545104
Molecular FormulaC24H25FN6O2S
Molecular Weight480.57 g/mol
Exact Mass480.17
IUPAC NameN-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine
SMILESCS(=O)(=O)c1ccc(F)cc1CNc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1
InChIInChI=1S/C24H25FN6O2S/c1-34(32,33)22-6-3-18(25)12-17(22)15-27-19-4-5-21-20(13-19)24(30-29-21)16-2-7-23(28-14-16)31-10-8-26-9-11-31/h2-7,12-14,26-27H,8-11,15H2,1H3,(H,29,30)
InChIKeyXYXJGUFWOMYBSK-UHFFFAOYSA-N
XLogP3.19
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine?
The IUPAC name of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine (CID 155545104) is N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine?
The canonical SMILES for N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine is CS(=O)(=O)c1ccc(F)cc1CNc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1.
What is the InChIKey of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine?
The InChIKey is XYXJGUFWOMYBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2S/c1-34(32,33)22-6-3-18(25)12-17(22)15-27-19-4-5-21-20(13-19)24(30-29-21)16-2-7-23(28-14-16)31-10-8-26-9-11-31/h2-7,12-14,26-27H,8-11,15H2,1H3,(H,29,30).
What are the key properties of N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine?
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine has a molecular weight of 480.57 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-amine is sourced from PubChem (CID 155545104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).