methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate

C43H38F2N4O8 — CID 157105590

IUPACmethyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate
SMILESCOC(=O)c1[nH]c2cc3c(cc2c1-c1cccnc1OC)OCC3.COC(=O)c1c(C2=CC=CNC2OC)c2cc3c(cc2n1Cc1cc(F)ccc1F)CCO3
InChIInChI=1S/C25H22F2N2O4.C18H16N2O4/c1-31-24-17(4-3-8-28-24)22-18-12-21-14(7-9-33-21)11-20(18)29(23(22)25(30)32-2)13-15-10-16(26)5-6-19(15)27;1-22-17-11(4-3-6-19-17)15-12-9-14-10(5-7-24-14)8-13(12)20-16(15)18(21)23-2/h3-6,8,10-12,24,28H,7,9,13H2,1-2H3;3-4,6,8-9,20H,5,7H2,1-2H3
InChIKeyAGGLSHDXRJTMGY-UHFFFAOYSA-N
MW776.79 g/mol
LogP7.12
Rot. Bonds8

About methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate

methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate (PubChem CID 157105590) has the molecular formula C43H38F2N4O8 and a molecular weight of 776.79 g/mol. Its IUPAC name is methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate
PubChem CID157105590
Molecular FormulaC43H38F2N4O8
Molecular Weight776.79 g/mol
Exact Mass776.27
IUPAC Namemethyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate
SMILESCOC(=O)c1[nH]c2cc3c(cc2c1-c1cccnc1OC)OCC3.COC(=O)c1c(C2=CC=CNC2OC)c2cc3c(cc2n1Cc1cc(F)ccc1F)CCO3
InChIInChI=1S/C25H22F2N2O4.C18H16N2O4/c1-31-24-17(4-3-8-28-24)22-18-12-21-14(7-9-33-21)11-20(18)29(23(22)25(30)32-2)13-15-10-16(26)5-6-19(15)27;1-22-17-11(4-3-6-19-17)15-12-9-14-10(5-7-24-14)8-13(12)20-16(15)18(21)23-2/h3-6,8,10-12,24,28H,7,9,13H2,1-2H3;3-4,6,8-9,20H,5,7H2,1-2H3
InChIKeyAGGLSHDXRJTMGY-UHFFFAOYSA-N
XLogP7.12
TPSA135.16 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500776.79
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate?
The IUPAC name of methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate (CID 157105590) is methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate.
What is the SMILES notation for methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate?
The canonical SMILES for methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate is COC(=O)c1[nH]c2cc3c(cc2c1-c1cccnc1OC)OCC3.COC(=O)c1c(C2=CC=CNC2OC)c2cc3c(cc2n1Cc1cc(F)ccc1F)CCO3.
What is the InChIKey of methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate?
The InChIKey is AGGLSHDXRJTMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O4.C18H16N2O4/c1-31-24-17(4-3-8-28-24)22-18-12-21-14(7-9-33-21)11-20(18)29(23(22)25(30)32-2)13-15-10-16(26)5-6-19(15)27;1-22-17-11(4-3-6-19-17)15-12-9-14-10(5-7-24-14)8-13(12)20-16(15)18(21)23-2/h3-6,8,10-12,24,28H,7,9,13H2,1-2H3;3-4,6,8-9,20H,5,7H2,1-2H3.
What are the key properties of methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate?
methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate has a molecular weight of 776.79 g/mol, XLogP of 7.12, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,5-difluorophenyl)methyl]-7-(2-methoxy-1,2-dihydropyridin-3-yl)-2,3-dihydrofuro[2,3-f]indole-6-carboxylate;methyl 7-(2-methoxy-3-pyridinyl)-3,5-dihydro-2H-furo[2,3-f]indole-6-carboxylate is sourced from PubChem (CID 157105590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).