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

C29H24F2N4O4 — CID 58371506

IUPAC6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESCN(C)CCn1ncc2cc(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)c(F)cc21
InChIInChI=1S/C29H24F2N4O4/c1-33(2)8-9-35-22-12-20(30)17(11-16(22)14-32-35)15-34-23-13-21(31)18-7-10-39-28(18)26(23)25(27(34)29(37)38)19-5-3-4-6-24(19)36/h3-5,7,10-14H,6,8-9,15H2,1-2H3,(H,37,38)
InChIKeyFSNOUUXMAVBMAB-UHFFFAOYSA-N
MW530.53 g/mol
LogP5.24
Rot. Bonds7

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

6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 58371506) has the molecular formula C29H24F2N4O4 and a molecular weight of 530.53 g/mol. Its IUPAC name is 6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID58371506
Molecular FormulaC29H24F2N4O4
Molecular Weight530.53 g/mol
Exact Mass530.18
IUPAC Name6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESCN(C)CCn1ncc2cc(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)c(F)cc21
InChIInChI=1S/C29H24F2N4O4/c1-33(2)8-9-35-22-12-20(30)17(11-16(22)14-32-35)15-34-23-13-21(31)18-7-10-39-28(18)26(23)25(27(34)29(37)38)19-5-3-4-6-24(19)36/h3-5,7,10-14H,6,8-9,15H2,1-2H3,(H,37,38)
InChIKeyFSNOUUXMAVBMAB-UHFFFAOYSA-N
XLogP5.24
TPSA93.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid (CID 58371506) is 6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid is CN(C)CCn1ncc2cc(Cn3c(C(=O)O)c(C4=CC=CCC4=O)c4c5occc5c(F)cc43)c(F)cc21.
What is the InChIKey of 6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is FSNOUUXMAVBMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N4O4/c1-33(2)8-9-35-22-12-20(30)17(11-16(22)14-32-35)15-34-23-13-21(31)18-7-10-39-28(18)26(23)25(27(34)29(37)38)19-5-3-4-6-24(19)36/h3-5,7,10-14H,6,8-9,15H2,1-2H3,(H,37,38).
What are the key properties of 6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid?
6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 530.53 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[2-(dimethylamino)ethyl]-6-fluoroindazol-5-yl]methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 58371506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).