5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide

C23H27N7O4S — CID 46200675

IUPAC5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide
SMILESCCc1cnc(N2CCC(Oc3cnc(C(=O)Nc4ccc(S(C)(=O)=O)nc4C)cn3)CC2)nc1
InChIInChI=1S/C23H27N7O4S/c1-4-16-11-26-23(27-12-16)30-9-7-17(8-10-30)34-20-14-24-19(13-25-20)22(31)29-18-5-6-21(28-15(18)2)35(3,32)33/h5-6,11-14,17H,4,7-10H2,1-3H3,(H,29,31)
InChIKeyONENAOZZGAJBQH-UHFFFAOYSA-N
MW497.58 g/mol
LogP2.24
Rot. Bonds7

About 5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide

5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide (PubChem CID 46200675) has the molecular formula C23H27N7O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is 5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide
PubChem CID46200675
Molecular FormulaC23H27N7O4S
Molecular Weight497.58 g/mol
Exact Mass497.18
IUPAC Name5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide
SMILESCCc1cnc(N2CCC(Oc3cnc(C(=O)Nc4ccc(S(C)(=O)=O)nc4C)cn3)CC2)nc1
InChIInChI=1S/C23H27N7O4S/c1-4-16-11-26-23(27-12-16)30-9-7-17(8-10-30)34-20-14-24-19(13-25-20)22(31)29-18-5-6-21(28-15(18)2)35(3,32)33/h5-6,11-14,17H,4,7-10H2,1-3H3,(H,29,31)
InChIKeyONENAOZZGAJBQH-UHFFFAOYSA-N
XLogP2.24
TPSA140.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide (CID 46200675) is 5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide is CCc1cnc(N2CCC(Oc3cnc(C(=O)Nc4ccc(S(C)(=O)=O)nc4C)cn3)CC2)nc1.
What is the InChIKey of 5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is ONENAOZZGAJBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O4S/c1-4-16-11-26-23(27-12-16)30-9-7-17(8-10-30)34-20-14-24-19(13-25-20)22(31)29-18-5-6-21(28-15(18)2)35(3,32)33/h5-6,11-14,17H,4,7-10H2,1-3H3,(H,29,31).
What are the key properties of 5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide?
5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 46200675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).