methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate

C16H12N2O4 — CID 4318279

IUPACmethyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc4c(c3)OCO4)cn2c1
InChIInChI=1S/C16H12N2O4/c1-20-16(19)11-3-5-15-17-12(8-18(15)7-11)10-2-4-13-14(6-10)22-9-21-13/h2-8H,9H2,1H3
InChIKeyYZZJNADZPANXBT-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.52
Rot. Bonds2

About methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 4318279) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID4318279
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Namemethyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc4c(c3)OCO4)cn2c1
InChIInChI=1S/C16H12N2O4/c1-20-16(19)11-3-5-15-17-12(8-18(15)7-11)10-2-4-13-14(6-10)22-9-21-13/h2-8H,9H2,1H3
InChIKeyYZZJNADZPANXBT-UHFFFAOYSA-N
XLogP2.52
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)benzamide
CID 4521392
Bay 61-3606
CID 10200390
Benzo[1,3]dioxol-5-ylmethyl-(2-phenyl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 857997
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-methoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-amine
CID 3205757
2-(2,3-Dihydrobenzo(b)(1,4)dioxin-6-yl)-6-methylimidazo(1,2-a)pyridine
CID 2813456
2-(1,3-Benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridine
CID 5190275
8-methoxy-3-(8-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-one
CID 767317
4-(4-(Benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzoic acid
CID 9908131
3-(benzo[d][1,3]dioxol-5-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 10946675
(7-Methoxyimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11522983
BAY 61-3606 dihydrochloride
CID 11784504
2-[3-Methoxy-4-(3-piperidin-1-yl-propoxy)-phenyl]-7-methyl-imidazo[1,2-a]pyridine
CID 22015611

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 4318279) is methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc4c(c3)OCO4)cn2c1.
What is the InChIKey of methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is YZZJNADZPANXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-20-16(19)11-3-5-15-17-12(8-18(15)7-11)10-2-4-13-14(6-10)22-9-21-13/h2-8H,9H2,1H3.
What are the key properties of methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 296.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 4318279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).