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

C22H25FN4O4S — CID 172631897

IUPAC[3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone
SMILESCCSNc1cc(-c2cnc3cc(OC)c(C(=O)N4CCOCC4)cn23)cc(F)c1OC
InChIInChI=1S/C22H25FN4O4S/c1-4-32-25-17-10-14(9-16(23)21(17)30-3)18-12-24-20-11-19(29-2)15(13-27(18)20)22(28)26-5-7-31-8-6-26/h9-13,25H,4-8H2,1-3H3
InChIKeyJPVLYLVYHADQOW-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.71
Rot. Bonds7

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

[3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone (PubChem CID 172631897) has the molecular formula C22H25FN4O4S and a molecular weight of 460.53 g/mol. Its IUPAC name is [3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone
PubChem CID172631897
Molecular FormulaC22H25FN4O4S
Molecular Weight460.53 g/mol
Exact Mass460.16
IUPAC Name[3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone
SMILESCCSNc1cc(-c2cnc3cc(OC)c(C(=O)N4CCOCC4)cn23)cc(F)c1OC
InChIInChI=1S/C22H25FN4O4S/c1-4-32-25-17-10-14(9-16(23)21(17)30-3)18-12-24-20-11-19(29-2)15(13-27(18)20)22(28)26-5-7-31-8-6-26/h9-13,25H,4-8H2,1-3H3
InChIKeyJPVLYLVYHADQOW-UHFFFAOYSA-N
XLogP3.71
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-morpholin-4-ylmethanone
CID 172631516
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxy-N-(oxetan-3-ylsulfanyl)aniline
CID 178093970
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(E)-cyclobutyl(ethylidene)-λ4-sulfanyl]-3-fluoro-2-methoxyaniline
CID 178093965
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
[6-chloro-4-[(3,4-dimethoxyphenyl)methylamino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53333943
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 162421226
(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
CID 164512719
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide
CID 178094096
[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
CID 145213413
morpholin-4-yl-[4-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]methanone
CID 42670236
N-[2,3-dimethoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylacetamide
CID 175642350

Frequently Asked Questions

What is the IUPAC name of [3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone (CID 172631897) is [3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone is CCSNc1cc(-c2cnc3cc(OC)c(C(=O)N4CCOCC4)cn23)cc(F)c1OC.
What is the InChIKey of [3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is JPVLYLVYHADQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4S/c1-4-32-25-17-10-14(9-16(23)21(17)30-3)18-12-24-20-11-19(29-2)15(13-27(18)20)22(28)26-5-7-31-8-6-26/h9-13,25H,4-8H2,1-3H3.
What are the key properties of [3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone?
[3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 460.53 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(ethylsulfanylamino)-5-fluoro-4-methoxyphenyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 172631897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).