N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide

C24H27N7O3S — CID 56848679

IUPACN-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide
SMILESCCc1cnc(N2CCC(Oc3cc(-n4ccc5cc(NS(C)(=O)=O)ccc54)ncn3)CC2)nc1
InChIInChI=1S/C24H27N7O3S/c1-3-17-14-25-24(26-15-17)30-9-7-20(8-10-30)34-23-13-22(27-16-28-23)31-11-6-18-12-19(4-5-21(18)31)29-35(2,32)33/h4-6,11-16,20,29H,3,7-10H2,1-2H3
InChIKeyXTFYLOCNZIQTMW-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.19
Rot. Bonds7

About N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide

N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide (PubChem CID 56848679) has the molecular formula C24H27N7O3S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide
PubChem CID56848679
Molecular FormulaC24H27N7O3S
Molecular Weight493.59 g/mol
Exact Mass493.19
IUPAC NameN-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide
SMILESCCc1cnc(N2CCC(Oc3cc(-n4ccc5cc(NS(C)(=O)=O)ccc54)ncn3)CC2)nc1
InChIInChI=1S/C24H27N7O3S/c1-3-17-14-25-24(26-15-17)30-9-7-20(8-10-30)34-23-13-22(27-16-28-23)31-11-6-18-12-19(4-5-21(18)31)29-35(2,32)33/h4-6,11-16,20,29H,3,7-10H2,1-2H3
InChIKeyXTFYLOCNZIQTMW-UHFFFAOYSA-N
XLogP3.19
TPSA115.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide?
The IUPAC name of N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide (CID 56848679) is N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide?
The canonical SMILES for N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide is CCc1cnc(N2CCC(Oc3cc(-n4ccc5cc(NS(C)(=O)=O)ccc54)ncn3)CC2)nc1.
What is the InChIKey of N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide?
The InChIKey is XTFYLOCNZIQTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3S/c1-3-17-14-25-24(26-15-17)30-9-7-20(8-10-30)34-23-13-22(27-16-28-23)31-11-6-18-12-19(4-5-21(18)31)29-35(2,32)33/h4-6,11-16,20,29H,3,7-10H2,1-2H3.
What are the key properties of N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide?
N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide has a molecular weight of 493.59 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxypyrimidin-4-yl]indol-5-yl]methanesulfonamide is sourced from PubChem (CID 56848679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).