tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate

C21H22FN3O5 — CID 141466172

IUPACtert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(F)cc2[nH]c(-c3cc4c(o3)CN(C(=O)OC(C)(C)C)CC4)nc12
InChIInChI=1S/C21H22FN3O5/c1-21(2,3)30-20(27)25-6-5-11-7-15(29-16(11)10-25)18-23-14-9-12(22)8-13(17(14)24-18)19(26)28-4/h7-9H,5-6,10H2,1-4H3,(H,23,24)
InChIKeyWAZBPVYBDHOXAJ-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.04
Rot. Bonds2

About tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate

tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate (PubChem CID 141466172) has the molecular formula C21H22FN3O5 and a molecular weight of 415.42 g/mol. Its IUPAC name is tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate
PubChem CID141466172
Molecular FormulaC21H22FN3O5
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Nametert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(F)cc2[nH]c(-c3cc4c(o3)CN(C(=O)OC(C)(C)C)CC4)nc12
InChIInChI=1S/C21H22FN3O5/c1-21(2,3)30-20(27)25-6-5-11-7-15(29-16(11)10-25)18-23-14-9-12(22)8-13(17(14)24-18)19(26)28-4/h7-9H,5-6,10H2,1-4H3,(H,23,24)
InChIKeyWAZBPVYBDHOXAJ-UHFFFAOYSA-N
XLogP4.04
TPSA97.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate with MolForge

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Related Compounds

tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-7-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 141466148
tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 141466121
2-O-tert-butyl 6-O-methyl 7-hydroxy-3,4-dihydro-1H-isoquinoline-2,6-dicarboxylate
CID 152598881
tert-butyl 7-bromo-6-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylate;2-O-tert-butyl 7-O-methyl 6-fluoro-3,4-dihydro-1H-isoquinoline-2,7-dicarboxylate
CID 163517935
2-O-tert-butyl 5-O,6-O-dimethyl 1,3-dihydroisoindole-2,5,6-tricarboxylate
CID 154730420
2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid
CID 84812091
2-O-tert-butyl 8-O-methyl 3,4-dihydro-1H-isoquinoline-2,8-dicarboxylate
CID 118798471
7-O-tert-butyl 3-O-methyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate
CID 53446461
dimethyl 4-[bromo-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-5-fluorobenzene-1,2-dicarboxylate
CID 169103706
methyl 8-fluoro-2-[[7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azaspiro[3.5]nonan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 164868549
dimethyl 3-fluoro-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzene-1,2-dicarboxylate;ethane
CID 142327290
8-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid
CID 25174347

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate (CID 141466172) is tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate is COC(=O)c1cc(F)cc2[nH]c(-c3cc4c(o3)CN(C(=O)OC(C)(C)C)CC4)nc12.
What is the InChIKey of tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate?
The InChIKey is WAZBPVYBDHOXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O5/c1-21(2,3)30-20(27)25-6-5-11-7-15(29-16(11)10-25)18-23-14-9-12(22)8-13(17(14)24-18)19(26)28-4/h7-9H,5-6,10H2,1-4H3,(H,23,24).
What are the key properties of tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate?
tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate has a molecular weight of 415.42 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-fluoro-4-methoxycarbonyl-1H-benzimidazol-2-yl)-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 141466172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).