ethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate

C22H23F2N3O3 — CID 166714436

IUPACethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCCOC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2CC2CNCCO2)c(F)c1
InChIInChI=1S/C22H23F2N3O3/c1-3-29-22(28)14-9-16(23)20(17(24)10-14)21-18(11-15-12-25-5-7-30-15)27-6-4-13(2)8-19(27)26-21/h4,6,8-10,15,25H,3,5,7,11-12H2,1-2H3
InChIKeyCTIQACIGZRNOGU-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.30
Rot. Bonds5

About ethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate

ethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate (PubChem CID 166714436) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is ethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate
PubChem CID166714436
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Nameethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCCOC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2CC2CNCCO2)c(F)c1
InChIInChI=1S/C22H23F2N3O3/c1-3-29-22(28)14-9-16(23)20(17(24)10-14)21-18(11-15-12-25-5-7-30-15)27-6-4-13(2)8-19(27)26-21/h4,6,8-10,15,25H,3,5,7,11-12H2,1-2H3
InChIKeyCTIQACIGZRNOGU-UHFFFAOYSA-N
XLogP3.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate?
The IUPAC name of ethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate (CID 166714436) is ethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate.
What is the SMILES notation for ethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate?
The canonical SMILES for ethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate is CCOC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2CC2CNCCO2)c(F)c1.
What is the InChIKey of ethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate?
The InChIKey is CTIQACIGZRNOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-3-29-22(28)14-9-16(23)20(17(24)10-14)21-18(11-15-12-25-5-7-30-15)27-6-4-13(2)8-19(27)26-21/h4,6,8-10,15,25H,3,5,7,11-12H2,1-2H3.
What are the key properties of ethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate?
ethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate has a molecular weight of 415.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate is sourced from PubChem (CID 166714436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).