4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid

C26H17F2N3O4 — CID 58371607

IUPAC4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESCn1ncc2cc(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)c(F)cc21
InChIInChI=1S/C26H17F2N3O4/c1-30-19-9-17(27)14(8-13(19)11-29-30)12-31-20-10-18(28)15-6-7-35-25(15)23(20)22(24(31)26(33)34)16-4-2-3-5-21(16)32/h2-4,6-11H,5,12H2,1H3,(H,33,34)
InChIKeyNKFNCJWDEKFYEM-UHFFFAOYSA-N
MW473.44 g/mol
LogP5.21
Rot. Bonds4

About 4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid

4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 58371607) has the molecular formula C26H17F2N3O4 and a molecular weight of 473.44 g/mol. Its IUPAC name is 4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID58371607
Molecular FormulaC26H17F2N3O4
Molecular Weight473.44 g/mol
Exact Mass473.12
IUPAC Name4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESCn1ncc2cc(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)c(F)cc21
InChIInChI=1S/C26H17F2N3O4/c1-30-19-9-17(27)14(8-13(19)11-29-30)12-31-20-10-18(28)15-6-7-35-25(15)23(20)22(24(31)26(33)34)16-4-2-3-5-21(16)32/h2-4,6-11H,5,12H2,1H3,(H,33,34)
InChIKeyNKFNCJWDEKFYEM-UHFFFAOYSA-N
XLogP5.21
TPSA90.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.44
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)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

Related Compounds

CID 135566393
CID 135566393
CID 25172916
CID 25172916
CID 25173543
CID 25173543
CID 44546719
CID 44546719
CID 44547929
CID 44547929
CID 44548902
CID 44548902
CID 44548904
CID 44548904
CID 44548908
CID 44548908
CID 44549053
CID 44549053
CID 49774150
CID 49774150
CID 49774153
CID 49774153
CID 49774170
CID 49774170

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid (CID 58371607) is 4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid is Cn1ncc2cc(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)c(F)cc21.
What is the InChIKey of 4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is NKFNCJWDEKFYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N3O4/c1-30-19-9-17(27)14(8-13(19)11-29-30)12-31-20-10-18(28)15-6-7-35-25(15)23(20)22(24(31)26(33)34)16-4-2-3-5-21(16)32/h2-4,6-11H,5,12H2,1H3,(H,33,34).
What are the key properties of 4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid?
4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 473.44 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(6-fluoro-1-methylindazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 58371607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).