[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone

C24H28FN3O4S — CID 172631516

IUPAC[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1cc2ncc(-c3cc(F)c(OC)c(C(=O)N4CCOCC4)c3)n2cc1SC(C)(C)C
InChIInChI=1S/C24H28FN3O4S/c1-24(2,3)33-20-14-28-18(13-26-21(28)12-19(20)30-4)15-10-16(22(31-5)17(25)11-15)23(29)27-6-8-32-9-7-27/h10-14H,6-9H2,1-5H3
InChIKeyXUXWPDUWLAMLAW-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.52
Rot. Bonds5

About [5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone

[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone (PubChem CID 172631516) has the molecular formula C24H28FN3O4S and a molecular weight of 473.57 g/mol. Its IUPAC name is [5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone
PubChem CID172631516
Molecular FormulaC24H28FN3O4S
Molecular Weight473.57 g/mol
Exact Mass473.18
IUPAC Name[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1cc2ncc(-c3cc(F)c(OC)c(C(=O)N4CCOCC4)c3)n2cc1SC(C)(C)C
InChIInChI=1S/C24H28FN3O4S/c1-24(2,3)33-20-14-28-18(13-26-21(28)12-19(20)30-4)15-10-16(22(31-5)17(25)11-15)23(29)27-6-8-32-9-7-27/h10-14H,6-9H2,1-5H3
InChIKeyXUXWPDUWLAMLAW-UHFFFAOYSA-N
XLogP4.52
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone
CID 172631897
3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-5-fluoroaniline
CID 170616433
N-[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide
CID 172631787
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
tert-butyl 4-[[3-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)phenyl]sulfamoyl]piperidine-1-carboxylate
CID 178094104
[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
CID 145213413
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 162421226
tert-butyl 4-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-nitroindazole-1-carboxylate
CID 172631902
(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
CID 164512719
morpholin-4-yl-[4-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]methanone
CID 42670236
3-fluoro-2-methoxy-5-[7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(1-methylpyrazol-4-yl)sulfanylaniline
CID 172631641

Frequently Asked Questions

What is the IUPAC name of [5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone (CID 172631516) is [5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone is COc1cc2ncc(-c3cc(F)c(OC)c(C(=O)N4CCOCC4)c3)n2cc1SC(C)(C)C.
What is the InChIKey of [5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone?
The InChIKey is XUXWPDUWLAMLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4S/c1-24(2,3)33-20-14-28-18(13-26-21(28)12-19(20)30-4)15-10-16(22(31-5)17(25)11-15)23(29)27-6-8-32-9-7-27/h10-14H,6-9H2,1-5H3.
What are the key properties of [5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone?
[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 473.57 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 172631516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).