6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid

C24H17F2N3O5 — CID 59283330

IUPAC6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
SMILESNC(=O)c1ccc(F)c(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4c(c(F)cc32)CCO4)c1
InChIInChI=1S/C24H17F2N3O5/c25-15-4-3-11(22(27)30)8-12(15)10-29-17-9-16(26)13-5-7-34-21(13)19(17)18(20(29)24(32)33)14-2-1-6-28-23(14)31/h1-4,6,8-9H,5,7,10H2,(H2,27,30)(H,28,31)(H,32,33)
InChIKeyKMWVMMPLOQVKTN-UHFFFAOYSA-N
MW465.41 g/mol
LogP3.06
Rot. Bonds5

About 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid

6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (PubChem CID 59283330) has the molecular formula C24H17F2N3O5 and a molecular weight of 465.41 g/mol. Its IUPAC name is 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
PubChem CID59283330
Molecular FormulaC24H17F2N3O5
Molecular Weight465.41 g/mol
Exact Mass465.11
IUPAC Name6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
SMILESNC(=O)c1ccc(F)c(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4c(c(F)cc32)CCO4)c1
InChIInChI=1S/C24H17F2N3O5/c25-15-4-3-11(22(27)30)8-12(15)10-29-17-9-16(26)13-5-7-34-21(13)19(17)18(20(29)24(32)33)14-2-1-6-28-23(14)31/h1-4,6,8-9H,5,7,10H2,(H2,27,30)(H,28,31)(H,32,33)
InChIKeyKMWVMMPLOQVKTN-UHFFFAOYSA-N
XLogP3.06
TPSA127.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (CID 59283330) is 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is NC(=O)c1ccc(F)c(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c4c(c(F)cc32)CCO4)c1.
What is the InChIKey of 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The InChIKey is KMWVMMPLOQVKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O5/c25-15-4-3-11(22(27)30)8-12(15)10-29-17-9-16(26)13-5-7-34-21(13)19(17)18(20(29)24(32)33)14-2-1-6-28-23(14)31/h1-4,6,8-9H,5,7,10H2,(H2,27,30)(H,28,31)(H,32,33).
What are the key properties of 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid has a molecular weight of 465.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 59283330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).