N-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide

C24H27N7O2S — CID 138455164

IUPACN-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CNc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1
InChIInChI=1S/C24H27N7O2S/c1-34(32,33)30-21-5-3-2-4-17(21)15-26-19-7-8-22-20(14-19)24(29-28-22)18-6-9-23(27-16-18)31-12-10-25-11-13-31/h2-9,14,16,25-26,30H,10-13,15H2,1H3,(H,28,29)
InChIKeyZTJQDVXGJTWIGK-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.02
Rot. Bonds7

About N-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide

N-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide (PubChem CID 138455164) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
PubChem CID138455164
Molecular FormulaC24H27N7O2S
Molecular Weight477.59 g/mol
Exact Mass477.19
IUPAC NameN-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1CNc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1
InChIInChI=1S/C24H27N7O2S/c1-34(32,33)30-21-5-3-2-4-17(21)15-26-19-7-8-22-20(14-19)24(29-28-22)18-6-9-23(27-16-18)31-12-10-25-11-13-31/h2-9,14,16,25-26,30H,10-13,15H2,1H3,(H,28,29)
InChIKeyZTJQDVXGJTWIGK-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide (CID 138455164) is N-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1CNc1ccc2[nH]nc(-c3ccc(N4CCNCC4)nc3)c2c1.
What is the InChIKey of N-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
The InChIKey is ZTJQDVXGJTWIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-34(32,33)30-21-5-3-2-4-17(21)15-26-19-7-8-22-20(14-19)24(29-28-22)18-6-9-23(27-16-18)31-12-10-25-11-13-31/h2-9,14,16,25-26,30H,10-13,15H2,1H3,(H,28,29).
What are the key properties of N-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide?
N-[2-[[[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-[2-[[[3-(6-piperazin-1-yl-3-pyridinyl)-1H-indazol-5-yl]amino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 138455164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).