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

C22H23F2N3O3 — CID 156827766

IUPACmethyl 2,5-difluoro-3-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCOC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2CC2CNCCO2)c(C)c1F
InChIInChI=1S/C22H23F2N3O3/c1-12-4-6-27-17(9-14-11-25-5-7-30-14)21(26-18(27)8-12)19-13(2)20(24)15(10-16(19)23)22(28)29-3/h4,6,8,10,14,25H,5,7,9,11H2,1-3H3
InChIKeyQUFJSQJVYIWKNE-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.21
Rot. Bonds4

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

methyl 2,5-difluoro-3-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate (PubChem CID 156827766) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is methyl 2,5-difluoro-3-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 2,5-difluoro-3-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate
PubChem CID156827766
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Namemethyl 2,5-difluoro-3-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCOC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2CC2CNCCO2)c(C)c1F
InChIInChI=1S/C22H23F2N3O3/c1-12-4-6-27-17(9-14-11-25-5-7-30-14)21(26-18(27)8-12)19-13(2)20(24)15(10-16(19)23)22(28)29-3/h4,6,8,10,14,25H,5,7,9,11H2,1-3H3
InChIKeyQUFJSQJVYIWKNE-UHFFFAOYSA-N
XLogP3.21
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

Camlipixant
CID 76955630
Methyl 3-(4-fluorophenyl)-1-methyl-5-(2-morpholin-4-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419791
Ethyl 1-methyl-5-piperazin-1-yl-4-pyridin-4-yl-3-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxylate
CID 44419823
Ethyl 1-methyl-3-(4-methylphenyl)-5-piperazin-1-yl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419824
Ethyl 3-(3,5-difluorophenyl)-1-methyl-5-piperazin-1-yl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419829
3-(6,8-Dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)-1h-isochromen-1-one
CID 71652160
3-(6,8-Dimethylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylisochromen-1-one
CID 71679290
3-(6-Methylimidazo[1,2-a]pyrazin-2-yl)-7-(4-methylpiperazin-1-yl)isochromen-1-one
CID 118045143
Imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate
CID 2999528
Benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate
CID 127031630
Methyl 4-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzoate
CID 155559723
Methyl 4-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzoate
CID 156016147

Frequently Asked Questions

What is the IUPAC name of methyl 2,5-difluoro-3-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate?
The IUPAC name of methyl 2,5-difluoro-3-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate (CID 156827766) is methyl 2,5-difluoro-3-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate.
What is the SMILES notation for methyl 2,5-difluoro-3-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate?
The canonical SMILES for methyl 2,5-difluoro-3-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate is COC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2CC2CNCCO2)c(C)c1F.
What is the InChIKey of methyl 2,5-difluoro-3-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate?
The InChIKey is QUFJSQJVYIWKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-12-4-6-27-17(9-14-11-25-5-7-30-14)21(26-18(27)8-12)19-13(2)20(24)15(10-16(19)23)22(28)29-3/h4,6,8,10,14,25H,5,7,9,11H2,1-3H3.
What are the key properties of methyl 2,5-difluoro-3-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate?
methyl 2,5-difluoro-3-methyl-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 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-difluoro-3-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoate is sourced from PubChem (CID 156827766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).