ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

C24H18F2N4O4 — CID 59283467

IUPACethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
SMILESCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(N)ncc1F
InChIInChI=1S/C24H18F2N4O4/c1-2-33-24(32)21-19(14-4-3-6-28-23(14)31)20-17(9-15(25)13-5-7-34-22(13)20)30(21)11-12-8-18(27)29-10-16(12)26/h3-10H,2,11H2,1H3,(H2,27,29)(H,28,31)
InChIKeyWYRDOHALTREPNH-UHFFFAOYSA-N
MW464.43 g/mol
LogP4.22
Rot. Bonds5

About ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate

ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (PubChem CID 59283467) has the molecular formula C24H18F2N4O4 and a molecular weight of 464.43 g/mol. Its IUPAC name is ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
PubChem CID59283467
Molecular FormulaC24H18F2N4O4
Molecular Weight464.43 g/mol
Exact Mass464.13
IUPAC Nameethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate
SMILESCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(N)ncc1F
InChIInChI=1S/C24H18F2N4O4/c1-2-33-24(32)21-19(14-4-3-6-28-23(14)31)20-17(9-15(25)13-5-7-34-22(13)20)30(21)11-12-8-18(27)29-10-16(12)26/h3-10H,2,11H2,1H3,(H2,27,29)(H,28,31)
InChIKeyWYRDOHALTREPNH-UHFFFAOYSA-N
XLogP4.22
TPSA116.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The IUPAC name of ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate (CID 59283467) is ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate.
What is the SMILES notation for ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The canonical SMILES for ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(N)ncc1F.
What is the InChIKey of ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
The InChIKey is WYRDOHALTREPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O4/c1-2-33-24(32)21-19(14-4-3-6-28-23(14)31)20-17(9-15(25)13-5-7-34-22(13)20)30(21)11-12-8-18(27)29-10-16(12)26/h3-10H,2,11H2,1H3,(H2,27,29)(H,28,31).
What are the key properties of ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate?
ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate has a molecular weight of 464.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-amino-5-fluoro-4-pyridinyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylate is sourced from PubChem (CID 59283467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).