N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

C26H32N10O2S — CID 58865718

IUPACN-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(Nc2nc(NC3CCCNC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C26H32N10O2S/c37-39(38,35-20-7-6-18-16-28-34-23(18)15-20)22-10-8-19(9-11-22)29-24-31-25(30-21-5-4-12-27-17-21)33-26(32-24)36-13-2-1-3-14-36/h6-11,15-16,21,27,35H,1-5,12-14,17H2,(H,28,34)(H2,29,30,31,32,33)
InChIKeyNGXRRCRIYGOEBZ-UHFFFAOYSA-N
MW548.68 g/mol
LogP3.45
Rot. Bonds8

About N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide

N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (PubChem CID 58865718) has the molecular formula C26H32N10O2S and a molecular weight of 548.68 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
PubChem CID58865718
Molecular FormulaC26H32N10O2S
Molecular Weight548.68 g/mol
Exact Mass548.24
IUPAC NameN-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(Nc2nc(NC3CCCNC3)nc(N3CCCCC3)n2)cc1
InChIInChI=1S/C26H32N10O2S/c37-39(38,35-20-7-6-18-16-28-34-23(18)15-20)22-10-8-19(9-11-22)29-24-31-25(30-21-5-4-12-27-17-21)33-26(32-24)36-13-2-1-3-14-36/h6-11,15-16,21,27,35H,1-5,12-14,17H2,(H,28,34)(H2,29,30,31,32,33)
InChIKeyNGXRRCRIYGOEBZ-UHFFFAOYSA-N
XLogP3.45
TPSA152.85 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.68
LogP ≤ 53.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide (CID 58865718) is N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(Nc2nc(NC3CCCNC3)nc(N3CCCCC3)n2)cc1.
What is the InChIKey of N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
The InChIKey is NGXRRCRIYGOEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N10O2S/c37-39(38,35-20-7-6-18-16-28-34-23(18)15-20)22-10-8-19(9-11-22)29-24-31-25(30-21-5-4-12-27-17-21)33-26(32-24)36-13-2-1-3-14-36/h6-11,15-16,21,27,35H,1-5,12-14,17H2,(H,28,34)(H2,29,30,31,32,33).
What are the key properties of N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide?
N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide has a molecular weight of 548.68 g/mol, XLogP of 3.45, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-4-[[4-piperidin-1-yl-6-(piperidin-3-ylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 58865718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).