N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide

C24H27N7O2S — CID 155539036

IUPACN-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CNc2ccc3[nH]nc(-c4ccc(N5CCNCC5)nc4)c3c2)c1
InChIInChI=1S/C24H27N7O2S/c1-34(32,33)30-20-4-2-3-17(13-20)15-26-19-6-7-22-21(14-19)24(29-28-22)18-5-8-23(27-16-18)31-11-9-25-10-12-31/h2-8,13-14,16,25-26,30H,9-12,15H2,1H3,(H,28,29)
InChIKeyMTTMTAQJDVWGGI-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.02
Rot. Bonds7

About N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide

N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide (PubChem CID 155539036) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
PubChem CID155539036
Molecular FormulaC24H27N7O2S
Molecular Weight477.59 g/mol
Exact Mass477.19
IUPAC NameN-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CNc2ccc3[nH]nc(-c4ccc(N5CCNCC5)nc4)c3c2)c1
InChIInChI=1S/C24H27N7O2S/c1-34(32,33)30-20-4-2-3-17(13-20)15-26-19-6-7-22-21(14-19)24(29-28-22)18-5-8-23(27-16-18)31-11-9-25-10-12-31/h2-8,13-14,16,25-26,30H,9-12,15H2,1H3,(H,28,29)
InChIKeyMTTMTAQJDVWGGI-UHFFFAOYSA-N
XLogP3.02
TPSA115.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
3-({4-[methyl(3-methyl-1H-indazol-6-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 21956341
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 59473368
6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-N-piperidin-4-ylpyrazin-2-amine
CID 67959617
1-[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 67959736
(S)-1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253342
3-(6-(piperazin-1-yl)pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253554
5-(5-methyl-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253796
3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(6-methylpyrazin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254090
5-(6-methylpyrazin-2-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71254178

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide (CID 155539036) is N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CNc2ccc3[nH]nc(-c4ccc(N5CCNCC5)nc4)c3c2)c1.
What is the InChIKey of N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The InChIKey is MTTMTAQJDVWGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-34(32,33)30-20-4-2-3-17(13-20)15-26-19-6-7-22-21(14-19)24(29-28-22)18-5-8-23(27-16-18)31-11-9-25-10-12-31/h2-8,13-14,16,25-26,30H,9-12,15H2,1H3,(H,28,29).
What are the key properties of N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide has a molecular weight of 477.59 g/mol, XLogP of 3.02, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 155539036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).