methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate

C22H18ClN3O2 — CID 68620729

IUPACmethyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2cc(-c3cccc(Cl)c3)c3nc(C)cn3c2)cn1
InChIInChI=1S/C22H18ClN3O2/c1-14-12-26-13-16(8-15-6-7-20(24-11-15)22(27)28-2)9-19(21(26)25-14)17-4-3-5-18(23)10-17/h3-7,9-13H,8H2,1-2H3
InChIKeyPNWXMHPURISIOS-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.74
Rot. Bonds4

About methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate

methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate (PubChem CID 68620729) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate
PubChem CID68620729
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Namemethyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(Cc2cc(-c3cccc(Cl)c3)c3nc(C)cn3c2)cn1
InChIInChI=1S/C22H18ClN3O2/c1-14-12-26-13-16(8-15-6-7-20(24-11-15)22(27)28-2)9-19(21(26)25-14)17-4-3-5-18(23)10-17/h3-7,9-13H,8H2,1-2H3
InChIKeyPNWXMHPURISIOS-UHFFFAOYSA-N
XLogP4.74
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 68619530
1-[5-[[8-(3-chlorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methyl]-2-pyridinyl]-3-ethylurea
CID 70231179
methyl 5-bromo-6-(3-chlorophenyl)pyrazine-2-carboxylate
CID 86682315
methyl 5-[(3,4-difluorophenyl)methyl]pyridine-2-carboxylate
CID 139512431
methyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate
CID 68621160
[4-[[8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methyl]phenyl]urea
CID 46215994
5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one
CID 86304433
(5-amino-2-pyridinyl)methanol;5-[(3-chlorophenyl)methyl]-N-[6-(hydroxymethyl)-3-pyridinyl]pyridine-2-carboxamide;methyl 5-[(3-chlorophenyl)methyl]pyridine-2-carboxylate
CID 167694406
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(6-methyl-3-pyridinyl)methyl]pyridine
CID 86304918
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
methyl 5-[[(3R)-3-(3-chlorophenoxy)pyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 166270839
methyl 5-chloropyridine-2-carboxylate
CID 11298216

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate (CID 68620729) is methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate is COC(=O)c1ccc(Cc2cc(-c3cccc(Cl)c3)c3nc(C)cn3c2)cn1.
What is the InChIKey of methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate?
The InChIKey is PNWXMHPURISIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-14-12-26-13-16(8-15-6-7-20(24-11-15)22(27)28-2)9-19(21(26)25-14)17-4-3-5-18(23)10-17/h3-7,9-13H,8H2,1-2H3.
What are the key properties of methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate?
methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate has a molecular weight of 391.86 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[8-(3-chlorophenyl)-2-methylimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 68620729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).