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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Related Compounds

N~2~-(1,1-Dioxido-2,3-Dihydro-1,2-Benzothiazol-6-Yl)-5-Fluoro-N~4~-(1h-Indazol-4-Yl)-N~4~-Methylpyrimidine-2,4-Diamine
CID 15979351
N^4^-1H-Indazol-4-YL-N^2^-[3-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine
CID 15980171
Gsk583
CID 67469084
1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469115
2-Amino-pyrazolopyridine, 19
CID 25093256
N-{2-[({3-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indazol-5-yl}amino)methyl]phenyl}methanesulfonamide
CID 138455164
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine
CID 155529416
N-[2-[[[3-[6-(piperidin-4-ylamino)-3-pyridinyl]-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
CID 155543447
[1-(3-Fluoro-benzyl)-1H-indazol-5-yl]-{5-[4-(2-methanesulfonyl-ethylamino)-piperidin-1-ylmethyl]-pyrrolo[2,1-f][1,2,4]triazin-4-yl}-amine
CID 22390541
N4-(3-(benzo[b]thiophen-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine
CID 46224695
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(2-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 54577894
N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 59473104

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).