3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine

C23H22N4O4 — CID 126484086

IUPAC3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOc1ccc([C@H]2Oc3c(OC)cc(Cn4cnc5cccnc54)cc3O[C@@H]2C)cn1
InChIInChI=1S/C23H22N4O4/c1-14-21(16-6-7-20(29-3)25-11-16)31-22-18(28-2)9-15(10-19(22)30-14)12-27-13-26-17-5-4-8-24-23(17)27/h4-11,13-14,21H,12H2,1-3H3/t14-,21+/m1/s1
InChIKeyYFGSYVYVMKBGBK-SZNDQCEHSA-N
MW418.45 g/mol
LogP3.79
Rot. Bonds5

About 3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine

3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine (PubChem CID 126484086) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
PubChem CID126484086
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine
SMILESCOc1ccc([C@H]2Oc3c(OC)cc(Cn4cnc5cccnc54)cc3O[C@@H]2C)cn1
InChIInChI=1S/C23H22N4O4/c1-14-21(16-6-7-20(29-3)25-11-16)31-22-18(28-2)9-15(10-19(22)30-14)12-27-13-26-17-5-4-8-24-23(17)27/h4-11,13-14,21H,12H2,1-3H3/t14-,21+/m1/s1
InChIKeyYFGSYVYVMKBGBK-SZNDQCEHSA-N
XLogP3.79
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine with MolForge

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Related Compounds

9-butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine
CID 448965
Unii-XX8E5WP7FS
CID 118009787
2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine
CID 447229
7-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10548259
2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine
CID 46178283
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine
CID 854979
103D5R
CID 11267663
9-Methoxy-8-(2-methoxyethoxy)-2-(4-phenyl-1H-imidazol-1-yl)benzo[c]-2,7-naphthyridin-4-amine
CID 44236915
(s)-4-(3-((2-(6-Methoxypyridin-3-yl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-3h-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine
CID 126484197
2-(2,3-Dihydrobenzo(b)(1,4)dioxin-6-yl)-6-methylimidazo(1,2-a)pyridine
CID 2813456

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine (CID 126484086) is 3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine is COc1ccc([C@H]2Oc3c(OC)cc(Cn4cnc5cccnc54)cc3O[C@@H]2C)cn1.
What is the InChIKey of 3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is YFGSYVYVMKBGBK-SZNDQCEHSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-14-21(16-6-7-20(29-3)25-11-16)31-22-18(28-2)9-15(10-19(22)30-14)12-27-13-26-17-5-4-8-24-23(17)27/h4-11,13-14,21H,12H2,1-3H3/t14-,21+/m1/s1.
What are the key properties of 3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine?
3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 418.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R,3R)-5-methoxy-3-(6-methoxy-3-pyridinyl)-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 126484086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).