4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid

C27H19FN4O4 — CID 58371580

IUPAC4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid
SMILESC=CCc1cc2[nH]ncc2cc1Cn1c(C(=O)O)c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc21
InChIInChI=1S/C27H19FN4O4/c1-2-4-14-10-20-15(12-30-31-20)9-16(14)13-32-21-11-19(28)17-6-8-36-25(17)23(21)22(24(32)27(34)35)18-5-3-7-29-26(18)33/h2-3,5-12H,1,4,13H2,(H,29,33)(H,30,31)(H,34,35)
InChIKeyCZPXYENUHXTEBE-UHFFFAOYSA-N
MW482.47 g/mol
LogP5.23
Rot. Bonds6

About 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid

4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid (PubChem CID 58371580) has the molecular formula C27H19FN4O4 and a molecular weight of 482.47 g/mol. Its IUPAC name is 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid
PubChem CID58371580
Molecular FormulaC27H19FN4O4
Molecular Weight482.47 g/mol
Exact Mass482.14
IUPAC Name4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid
SMILESC=CCc1cc2[nH]ncc2cc1Cn1c(C(=O)O)c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc21
InChIInChI=1S/C27H19FN4O4/c1-2-4-14-10-20-15(12-30-31-20)9-16(14)13-32-21-11-19(28)17-6-8-36-25(17)23(21)22(24(32)27(34)35)18-5-3-7-29-26(18)33/h2-3,5-12H,1,4,13H2,(H,29,33)(H,30,31)(H,34,35)
InChIKeyCZPXYENUHXTEBE-UHFFFAOYSA-N
XLogP5.23
TPSA116.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.47
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid (CID 58371580) is 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid is C=CCc1cc2[nH]ncc2cc1Cn1c(C(=O)O)c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc21.
What is the InChIKey of 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is CZPXYENUHXTEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4O4/c1-2-4-14-10-20-15(12-30-31-20)9-16(14)13-32-21-11-19(28)17-6-8-36-25(17)23(21)22(24(32)27(34)35)18-5-3-7-29-26(18)33/h2-3,5-12H,1,4,13H2,(H,29,33)(H,30,31)(H,34,35).
What are the key properties of 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid?
4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 482.47 g/mol, XLogP of 5.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-6-[(6-prop-2-enyl-1H-indazol-5-yl)methyl]furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 58371580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).