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

C26H20FN3O4 — CID 58371476

IUPAC4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
SMILESCc1cc2[nH]ncc2cc1Cn1c(C(=O)O)c(C2=CC=CCC2=O)c2c3c(c(F)cc21)CCO3
InChIInChI=1S/C26H20FN3O4/c1-13-8-19-14(11-28-29-19)9-15(13)12-30-20-10-18(27)16-6-7-34-25(16)23(20)22(24(30)26(32)33)17-4-2-3-5-21(17)31/h2-4,8-11H,5-7,12H2,1H3,(H,28,29)(H,32,33)
InChIKeyUHKSPGHUMJVXJQ-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.56
Rot. Bonds4

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

4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (PubChem CID 58371476) has the molecular formula C26H20FN3O4 and a molecular weight of 457.46 g/mol. Its IUPAC name is 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
PubChem CID58371476
Molecular FormulaC26H20FN3O4
Molecular Weight457.46 g/mol
Exact Mass457.14
IUPAC Name4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
SMILESCc1cc2[nH]ncc2cc1Cn1c(C(=O)O)c(C2=CC=CCC2=O)c2c3c(c(F)cc21)CCO3
InChIInChI=1S/C26H20FN3O4/c1-13-8-19-14(11-28-29-19)9-15(13)12-30-20-10-18(27)16-6-7-34-25(16)23(20)22(24(30)26(32)33)17-4-2-3-5-21(17)31/h2-4,8-11H,5-7,12H2,1H3,(H,28,29)(H,32,33)
InChIKeyUHKSPGHUMJVXJQ-UHFFFAOYSA-N
XLogP4.56
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (CID 58371476) is 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is Cc1cc2[nH]ncc2cc1Cn1c(C(=O)O)c(C2=CC=CCC2=O)c2c3c(c(F)cc21)CCO3.
What is the InChIKey of 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The InChIKey is UHKSPGHUMJVXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O4/c1-13-8-19-14(11-28-29-19)9-15(13)12-30-20-10-18(27)16-6-7-34-25(16)23(20)22(24(30)26(32)33)17-4-2-3-5-21(17)31/h2-4,8-11H,5-7,12H2,1H3,(H,28,29)(H,32,33).
What are the key properties of 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid has a molecular weight of 457.46 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(6-methyl-1H-indazol-5-yl)methyl]-8-(6-oxocyclohexa-1,3-dien-1-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 58371476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).