methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate

C30H28FN3O4 — CID 143716078

IUPACmethyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate
SMILESCOC(=O)c1c(-c2cccnc2OC)c2c3occc3c(F)cc2n1Cc1nc(C2CC2)ccc1C(C)C
InChIInChI=1S/C30H28FN3O4/c1-16(2)18-9-10-22(17-7-8-17)33-23(18)15-34-24-14-21(31)19-11-13-38-28(19)26(24)25(27(34)30(35)37-4)20-6-5-12-32-29(20)36-3/h5-6,9-14,16-17H,7-8,15H2,1-4H3
InChIKeyVFFDYCDBEQOVBS-UHFFFAOYSA-N
MW513.57 g/mol
LogP6.83
Rot. Bonds7

About methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate

methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate (PubChem CID 143716078) has the molecular formula C30H28FN3O4 and a molecular weight of 513.57 g/mol. Its IUPAC name is methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate
PubChem CID143716078
Molecular FormulaC30H28FN3O4
Molecular Weight513.57 g/mol
Exact Mass513.21
IUPAC Namemethyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate
SMILESCOC(=O)c1c(-c2cccnc2OC)c2c3occc3c(F)cc2n1Cc1nc(C2CC2)ccc1C(C)C
InChIInChI=1S/C30H28FN3O4/c1-16(2)18-9-10-22(17-7-8-17)33-23(18)15-34-24-14-21(31)19-11-13-38-28(19)26(24)25(27(34)30(35)37-4)20-6-5-12-32-29(20)36-3/h5-6,9-14,16-17H,7-8,15H2,1-4H3
InChIKeyVFFDYCDBEQOVBS-UHFFFAOYSA-N
XLogP6.83
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.57
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate?
The IUPAC name of methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate (CID 143716078) is methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate.
What is the SMILES notation for methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate?
The canonical SMILES for methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate is COC(=O)c1c(-c2cccnc2OC)c2c3occc3c(F)cc2n1Cc1nc(C2CC2)ccc1C(C)C.
What is the InChIKey of methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate?
The InChIKey is VFFDYCDBEQOVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN3O4/c1-16(2)18-9-10-22(17-7-8-17)33-23(18)15-34-24-14-21(31)19-11-13-38-28(19)26(24)25(27(34)30(35)37-4)20-6-5-12-32-29(20)36-3/h5-6,9-14,16-17H,7-8,15H2,1-4H3.
What are the key properties of methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate?
methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate has a molecular weight of 513.57 g/mol, XLogP of 6.83, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-cyclopropyl-3-propan-2-yl-2-pyridinyl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 143716078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).