N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide

C25H27N7O3S — CID 56663233

IUPACN-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide
SMILESCc1nc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)[nH]n2)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C25H27N7O3S/c1-17-26-23(16-25(27-17)32-12-10-20(33)11-13-32)28-24-15-22(29-30-24)18-6-5-7-19(14-18)31-36(34,35)21-8-3-2-4-9-21/h2-9,14-16,20,31,33H,10-13H2,1H3,(H2,26,27,28,29,30)
InChIKeyKFRUZRAQPBNGME-UHFFFAOYSA-N
MW505.60 g/mol
LogP3.68
Rot. Bonds7

About N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide

N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide (PubChem CID 56663233) has the molecular formula C25H27N7O3S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide
PubChem CID56663233
Molecular FormulaC25H27N7O3S
Molecular Weight505.60 g/mol
Exact Mass505.19
IUPAC NameN-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide
SMILESCc1nc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)[nH]n2)cc(N2CCC(O)CC2)n1
InChIInChI=1S/C25H27N7O3S/c1-17-26-23(16-25(27-17)32-12-10-20(33)11-13-32)28-24-15-22(29-30-24)18-6-5-7-19(14-18)31-36(34,35)21-8-3-2-4-9-21/h2-9,14-16,20,31,33H,10-13H2,1H3,(H2,26,27,28,29,30)
InChIKeyKFRUZRAQPBNGME-UHFFFAOYSA-N
XLogP3.68
TPSA136.13 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

Trans-4-({6-[(5-Phenyl-1h-Pyrazol-3-Yl)amino]-4-(Phenylsulfonyl)pyridin-2-Yl}amino)cyclohexanol
CID 86346631
N-[3-[3-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide
CID 53357593
N-[3-[3-[[2-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide
CID 56659759
N-[3-[3-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]butane-1-sulfonamide
CID 56659825
N-[3-[3-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide
CID 56666663
N-[3-[3-[[2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide
CID 56676922
3-methyl-N-[3-[3-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide
CID 56676977
N-[3-[3-[[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide
CID 56683569
4-[[4-(benzenesulfonyl)-6-[[5-(4-fluorophenyl)-1H-pyrazol-3-yl]amino]-2-pyridinyl]amino]cyclohexan-1-ol
CID 118642028
4-[3-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzenesulfonamide
CID 57392066
4-[[4-(4-fluorophenyl)-6-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 11698497
1-[2-[(E)-2-(4-fluorophenyl)ethenyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidin-4-ol
CID 57757817

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide (CID 56663233) is N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide is Cc1nc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)[nH]n2)cc(N2CCC(O)CC2)n1.
What is the InChIKey of N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide?
The InChIKey is KFRUZRAQPBNGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3S/c1-17-26-23(16-25(27-17)32-12-10-20(33)11-13-32)28-24-15-22(29-30-24)18-6-5-7-19(14-18)31-36(34,35)21-8-3-2-4-9-21/h2-9,14-16,20,31,33H,10-13H2,1H3,(H2,26,27,28,29,30).
What are the key properties of N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide?
N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide has a molecular weight of 505.60 g/mol, XLogP of 3.68, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[[6-(4-hydroxypiperidin-1-yl)-2-methylpyrimidin-4-yl]amino]-1H-pyrazol-5-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 56663233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).