7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

C20H24N4O2S — CID 178094187

IUPAC7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCOc1cc2ncc(-c3cnc4c(c3)OCCN4C)n2cc1SC(C)(C)C
InChIInChI=1S/C20H24N4O2S/c1-20(2,3)27-17-12-24-14(11-21-18(24)9-15(17)25-5)13-8-16-19(22-10-13)23(4)6-7-26-16/h8-12H,6-7H2,1-5H3
InChIKeyZCYSADVRCGQRIE-UHFFFAOYSA-N
MW384.51 g/mol
LogP4.12
Rot. Bonds3

About 7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 178094187) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID178094187
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCOc1cc2ncc(-c3cnc4c(c3)OCCN4C)n2cc1SC(C)(C)C
InChIInChI=1S/C20H24N4O2S/c1-20(2,3)27-17-12-24-14(11-21-18(24)9-15(17)25-5)13-8-16-19(22-10-13)23(4)6-7-26-16/h8-12H,6-7H2,1-5H3
InChIKeyZCYSADVRCGQRIE-UHFFFAOYSA-N
XLogP4.12
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 178094187) is 7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is COc1cc2ncc(-c3cnc4c(c3)OCCN4C)n2cc1SC(C)(C)C.
What is the InChIKey of 7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is ZCYSADVRCGQRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-20(2,3)27-17-12-24-14(11-21-18(24)9-15(17)25-5)13-8-16-19(22-10-13)23(4)6-7-26-16/h8-12H,6-7H2,1-5H3.
What are the key properties of 7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 384.51 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 178094187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).