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

C22H23F2N3O3 — CID 154965258

IUPACmethyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCOC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2CC2CN(C)CCO2)c(F)c1
InChIInChI=1S/C22H23F2N3O3/c1-13-4-5-27-18(11-15-12-26(2)6-7-30-15)21(25-19(27)8-13)20-16(23)9-14(10-17(20)24)22(28)29-3/h4-5,8-10,15H,6-7,11-12H2,1-3H3
InChIKeyPVVJMHIPDKBZBA-UHFFFAOYSA-N
MW415.44 g/mol
LogP3.25
Rot. Bonds4

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

methyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate (PubChem CID 154965258) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is methyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate
PubChem CID154965258
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Namemethyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate
SMILESCOC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2CC2CN(C)CCO2)c(F)c1
InChIInChI=1S/C22H23F2N3O3/c1-13-4-5-27-18(11-15-12-26(2)6-7-30-15)21(25-19(27)8-13)20-16(23)9-14(10-17(20)24)22(28)29-3/h4-5,8-10,15H,6-7,11-12H2,1-3H3
InChIKeyPVVJMHIPDKBZBA-UHFFFAOYSA-N
XLogP3.25
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate?
The IUPAC name of methyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate (CID 154965258) is methyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate.
What is the SMILES notation for methyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate?
The canonical SMILES for methyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate is COC(=O)c1cc(F)c(-c2nc3cc(C)ccn3c2CC2CN(C)CCO2)c(F)c1.
What is the InChIKey of methyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate?
The InChIKey is PVVJMHIPDKBZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-13-4-5-27-18(11-15-12-26(2)6-7-30-15)21(25-19(27)8-13)20-16(23)9-14(10-17(20)24)22(28)29-3/h4-5,8-10,15H,6-7,11-12H2,1-3H3.
What are the key properties of methyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate?
methyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate has a molecular weight of 415.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-difluoro-4-[7-methyl-3-[(4-methylmorpholin-2-yl)methyl]imidazo[1,2-a]pyridin-2-yl]benzoate is sourced from PubChem (CID 154965258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).