2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide

C25H24ClFN4O3 — CID 67352885

IUPAC2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
SMILESCCc1cc(OC)cc(OCC(N)=O)c1-c1nc2ccc(F)cn2c1Nc1c(C)cccc1Cl
InChIInChI=1S/C25H24ClFN4O3/c1-4-15-10-17(33-3)11-19(34-13-20(28)32)22(15)24-25(30-23-14(2)6-5-7-18(23)26)31-12-16(27)8-9-21(31)29-24/h5-12,30H,4,13H2,1-3H3,(H2,28,32)
InChIKeyMQUKSIBLPVJURD-UHFFFAOYSA-N
MW482.94 g/mol
LogP5.28
Rot. Bonds8

About 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide

2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide (PubChem CID 67352885) has the molecular formula C25H24ClFN4O3 and a molecular weight of 482.94 g/mol. Its IUPAC name is 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
PubChem CID67352885
Molecular FormulaC25H24ClFN4O3
Molecular Weight482.94 g/mol
Exact Mass482.15
IUPAC Name2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide
SMILESCCc1cc(OC)cc(OCC(N)=O)c1-c1nc2ccc(F)cn2c1Nc1c(C)cccc1Cl
InChIInChI=1S/C25H24ClFN4O3/c1-4-15-10-17(33-3)11-19(34-13-20(28)32)22(15)24-25(30-23-14(2)6-5-7-18(23)26)31-12-16(27)8-9-21(31)29-24/h5-12,30H,4,13H2,1-3H3,(H2,28,32)
InChIKeyMQUKSIBLPVJURD-UHFFFAOYSA-N
XLogP5.28
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.94
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide (CID 67352885) is 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide is CCc1cc(OC)cc(OCC(N)=O)c1-c1nc2ccc(F)cn2c1Nc1c(C)cccc1Cl.
What is the InChIKey of 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
The InChIKey is MQUKSIBLPVJURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O3/c1-4-15-10-17(33-3)11-19(34-13-20(28)32)22(15)24-25(30-23-14(2)6-5-7-18(23)26)31-12-16(27)8-9-21(31)29-24/h5-12,30H,4,13H2,1-3H3,(H2,28,32).
What are the key properties of 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide?
2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide has a molecular weight of 482.94 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-chloro-6-methylanilino)-6-fluoroimidazo[1,2-a]pyridin-2-yl]-3-ethyl-5-methoxyphenoxy]acetamide is sourced from PubChem (CID 67352885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).