5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine

C22H25N5O3S — CID 59374157

IUPAC5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESCc1ccc(Nc2ccc(Oc3nccnc3C3CCN(S(C)(=O)=O)CC3)cc2)nc1
InChIInChI=1S/C22H25N5O3S/c1-16-3-8-20(25-15-16)26-18-4-6-19(7-5-18)30-22-21(23-11-12-24-22)17-9-13-27(14-10-17)31(2,28)29/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3,(H,25,26)
InChIKeyOECYUCQGNLSDTE-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.85
Rot. Bonds6

About 5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine

5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (PubChem CID 59374157) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
PubChem CID59374157
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESCc1ccc(Nc2ccc(Oc3nccnc3C3CCN(S(C)(=O)=O)CC3)cc2)nc1
InChIInChI=1S/C22H25N5O3S/c1-16-3-8-20(25-15-16)26-18-4-6-19(7-5-18)30-22-21(23-11-12-24-22)17-9-13-27(14-10-17)31(2,28)29/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3,(H,25,26)
InChIKeyOECYUCQGNLSDTE-UHFFFAOYSA-N
XLogP3.85
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The IUPAC name of 5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (CID 59374157) is 5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.
What is the SMILES notation for 5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The canonical SMILES for 5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is Cc1ccc(Nc2ccc(Oc3nccnc3C3CCN(S(C)(=O)=O)CC3)cc2)nc1.
What is the InChIKey of 5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The InChIKey is OECYUCQGNLSDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-16-3-8-20(25-15-16)26-18-4-6-19(7-5-18)30-22-21(23-11-12-24-22)17-9-13-27(14-10-17)31(2,28)29/h3-8,11-12,15,17H,9-10,13-14H2,1-2H3,(H,25,26).
What are the key properties of 5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine has a molecular weight of 439.54 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[3-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is sourced from PubChem (CID 59374157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).