methyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate

C22H23F2N3O3 — CID 156827669

IUPACmethyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2nc3cc(C(F)F)ccn3c2CC2CNCCO2)c(C)c1
InChIInChI=1S/C22H23F2N3O3/c1-13-9-15(22(28)29-2)3-4-17(13)20-18(11-16-12-25-6-8-30-16)27-7-5-14(21(23)24)10-19(27)26-20/h3-5,7,9-10,16,21,25H,6,8,11-12H2,1-2H3
InChIKeyZBISRMPCAFMYGN-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.56
Rot. Bonds5

About methyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate

methyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate (PubChem CID 156827669) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is methyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate
PubChem CID156827669
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Namemethyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2nc3cc(C(F)F)ccn3c2CC2CNCCO2)c(C)c1
InChIInChI=1S/C22H23F2N3O3/c1-13-9-15(22(28)29-2)3-4-17(13)20-18(11-16-12-25-6-8-30-16)27-7-5-14(21(23)24)10-19(27)26-20/h3-5,7,9-10,16,21,25H,6,8,11-12H2,1-2H3
InChIKeyZBISRMPCAFMYGN-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

Camlipixant
CID 76955630
Methyl 6-[[[4-cyano-3-[2-(trifluoromethyl)phenyl]phenyl]-(3-methylimidazol-4-yl)methoxy]methyl]pyridine-3-carboxylate
CID 44391918
Ethyl 1-methyl-5-piperazin-1-yl-4-pyridin-4-yl-3-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxylate
CID 44419823
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
Methyl 2-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 53299407
Methyl 4-[6-(pyridin-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate
CID 91800785
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
N,3,5-trimethyl-4-[7-methyl-3-[(4-propanoylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 168282658

Frequently Asked Questions

What is the IUPAC name of methyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate?
The IUPAC name of methyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate (CID 156827669) is methyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate?
The canonical SMILES for methyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate is COC(=O)c1ccc(-c2nc3cc(C(F)F)ccn3c2CC2CNCCO2)c(C)c1.
What is the InChIKey of methyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate?
The InChIKey is ZBISRMPCAFMYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-13-9-15(22(28)29-2)3-4-17(13)20-18(11-16-12-25-6-8-30-16)27-7-5-14(21(23)24)10-19(27)26-20/h3-5,7,9-10,16,21,25H,6,8,11-12H2,1-2H3.
What are the key properties of methyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate?
methyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate has a molecular weight of 415.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[7-(difluoromethyl)-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-3-methylbenzoate is sourced from PubChem (CID 156827669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).