7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

C19H22N4O4S — CID 172631885

IUPAC7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCOc1cc2ncc(-c3cnc4c(c3)OCCN4)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C19H22N4O4S/c1-19(2,3)28(24,25)16-11-23-13(10-21-17(23)8-14(16)26-4)12-7-15-18(22-9-12)20-5-6-27-15/h7-11H,5-6H2,1-4H3,(H,20,22)
InChIKeySJNXQXOGYUGMRA-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.78
Rot. Bonds3

About 7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 172631885) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID172631885
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESCOc1cc2ncc(-c3cnc4c(c3)OCCN4)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C19H22N4O4S/c1-19(2,3)28(24,25)16-11-23-13(10-21-17(23)8-14(16)26-4)12-7-15-18(22-9-12)20-5-6-27-15/h7-11H,5-6H2,1-4H3,(H,20,22)
InChIKeySJNXQXOGYUGMRA-UHFFFAOYSA-N
XLogP2.78
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 172631885) is 7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is COc1cc2ncc(-c3cnc4c(c3)OCCN4)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is SJNXQXOGYUGMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-19(2,3)28(24,25)16-11-23-13(10-21-17(23)8-14(16)26-4)12-7-15-18(22-9-12)20-5-6-27-15/h7-11H,5-6H2,1-4H3,(H,20,22).
What are the key properties of 7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 402.48 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 172631885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).