2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide

C27H28FN5O4 — CID 87365965

IUPAC2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide
SMILESCCc1cc(OC(N)C=O)cc(OCC(N)=O)c1-c1nc2ccc(F)cn2c1Nc1c(C)cccc1C
InChIInChI=1S/C27H28FN5O4/c1-4-17-10-19(37-22(30)13-34)11-20(36-14-21(29)35)24(17)26-27(32-25-15(2)6-5-7-16(25)3)33-12-18(28)8-9-23(33)31-26/h5-13,22,32H,4,14,30H2,1-3H3,(H2,29,35)
InChIKeyJFDQFTCSWVWFHB-UHFFFAOYSA-N
MW505.55 g/mol
LogP3.79
Rot. Bonds10

About 2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide

2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide (PubChem CID 87365965) has the molecular formula C27H28FN5O4 and a molecular weight of 505.55 g/mol. Its IUPAC name is 2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide
PubChem CID87365965
Molecular FormulaC27H28FN5O4
Molecular Weight505.55 g/mol
Exact Mass505.21
IUPAC Name2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide
SMILESCCc1cc(OC(N)C=O)cc(OCC(N)=O)c1-c1nc2ccc(F)cn2c1Nc1c(C)cccc1C
InChIInChI=1S/C27H28FN5O4/c1-4-17-10-19(37-22(30)13-34)11-20(36-14-21(29)35)24(17)26-27(32-25-15(2)6-5-7-16(25)3)33-12-18(28)8-9-23(33)31-26/h5-13,22,32H,4,14,30H2,1-3H3,(H2,29,35)
InChIKeyJFDQFTCSWVWFHB-UHFFFAOYSA-N
XLogP3.79
TPSA133.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.55
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide?
The IUPAC name of 2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide (CID 87365965) is 2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide.
What is the SMILES notation for 2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide?
The canonical SMILES for 2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide is CCc1cc(OC(N)C=O)cc(OCC(N)=O)c1-c1nc2ccc(F)cn2c1Nc1c(C)cccc1C.
What is the InChIKey of 2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide?
The InChIKey is JFDQFTCSWVWFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O4/c1-4-17-10-19(37-22(30)13-34)11-20(36-14-21(29)35)24(17)26-27(32-25-15(2)6-5-7-16(25)3)33-12-18(28)8-9-23(33)31-26/h5-13,22,32H,4,14,30H2,1-3H3,(H2,29,35).
What are the key properties of 2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide?
2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide has a molecular weight of 505.55 g/mol, XLogP of 3.79, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-amino-2-oxoethoxy)-2-[3-(2,6-dimethylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethylphenoxy]acetamide is sourced from PubChem (CID 87365965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).