tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate

C22H29N5O6S — CID 68604832

IUPACtert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate
SMILESCc1nc(S(C)(=O)=O)ccc1NC(=O)c1cnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C22H29N5O6S/c1-14-16(6-7-19(25-14)34(5,30)31)26-20(28)17-12-24-18(13-23-17)32-15-8-10-27(11-9-15)21(29)33-22(2,3)4/h6-7,12-13,15H,8-11H2,1-5H3,(H,26,28)
InChIKeyCZLVMYMORMWBDN-UHFFFAOYSA-N
MW491.57 g/mol
LogP2.61
Rot. Bonds5

About tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate (PubChem CID 68604832) has the molecular formula C22H29N5O6S and a molecular weight of 491.57 g/mol. Its IUPAC name is tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate
PubChem CID68604832
Molecular FormulaC22H29N5O6S
Molecular Weight491.57 g/mol
Exact Mass491.18
IUPAC Nametert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate
SMILESCc1nc(S(C)(=O)=O)ccc1NC(=O)c1cnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C22H29N5O6S/c1-14-16(6-7-19(25-14)34(5,30)31)26-20(28)17-12-24-18(13-23-17)32-15-8-10-27(11-9-15)21(29)33-22(2,3)4/h6-7,12-13,15H,8-11H2,1-5H3,(H,26,28)
InChIKeyCZLVMYMORMWBDN-UHFFFAOYSA-N
XLogP2.61
TPSA140.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate with MolForge

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Related Compounds

5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)pyrazine-2-carboxamide
CID 46200675
tert-butyl 4-[5-[(2-fluoro-4-methylsulfonylanilino)methyl]pyrazin-2-yl]oxypiperidine-1-carboxylate
CID 46200842
tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58487753
tert-butyl 4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylate
CID 67449879
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484
tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-7-oxopyrimido[5,4-b][1,4]oxazin-8-yl]piperidine-1-carboxylate
CID 58293668
tert-butyl 4-[(5-ethyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 134497281
tert-butyl 4-[[7-(tert-butylcarbamoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]oxy]piperidine-1-carboxylate
CID 144855565
tert-butyl 4-[(5-chloro-2-pyridinyl)oxy]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;5-chloro-1H-pyridin-2-one
CID 158585014
tert-butyl 4-[[4-(2-fluoro-4-methylsulfonylanilino)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 68980427
tert-butyl 3-[(5-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 24902580

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate (CID 68604832) is tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate is Cc1nc(S(C)(=O)=O)ccc1NC(=O)c1cnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cn1.
What is the InChIKey of tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate?
The InChIKey is CZLVMYMORMWBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O6S/c1-14-16(6-7-19(25-14)34(5,30)31)26-20(28)17-12-24-18(13-23-17)32-15-8-10-27(11-9-15)21(29)33-22(2,3)4/h6-7,12-13,15H,8-11H2,1-5H3,(H,26,28).
What are the key properties of tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate has a molecular weight of 491.57 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[(2-methyl-6-methylsulfonyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 68604832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).