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

C24H16F2N4O4 — CID 44547626

IUPAC4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2cn[nH]c2cc1F)CCO3
InChIInChI=1S/C24H16F2N4O4/c25-15-7-17-11(9-28-29-17)6-12(15)10-30-18-8-16(26)13-3-5-34-22(13)20(18)19(21(30)24(32)33)14-2-1-4-27-23(14)31/h1-2,4,6-9H,3,5,10H2,(H,27,31)(H,28,29)(H,32,33)
InChIKeyNSAHSKRQVSEAHI-UHFFFAOYSA-N
MW462.41 g/mol
LogP3.83
Rot. Bonds4

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

4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (PubChem CID 44547626) has the molecular formula C24H16F2N4O4 and a molecular weight of 462.41 g/mol. Its IUPAC name is 4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
PubChem CID44547626
Molecular FormulaC24H16F2N4O4
Molecular Weight462.41 g/mol
Exact Mass462.11
IUPAC Name4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2cn[nH]c2cc1F)CCO3
InChIInChI=1S/C24H16F2N4O4/c25-15-7-17-11(9-28-29-17)6-12(15)10-30-18-8-16(26)13-3-5-34-22(13)20(18)19(21(30)24(32)33)14-2-1-4-27-23(14)31/h1-2,4,6-9H,3,5,10H2,(H,27,31)(H,28,29)(H,32,33)
InChIKeyNSAHSKRQVSEAHI-UHFFFAOYSA-N
XLogP3.83
TPSA113.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.41
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid (CID 44547626) is 4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2cn[nH]c2cc1F)CCO3.
What is the InChIKey of 4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
The InChIKey is NSAHSKRQVSEAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O4/c25-15-7-17-11(9-28-29-17)6-12(15)10-30-18-8-16(26)13-3-5-34-22(13)20(18)19(21(30)24(32)33)14-2-1-4-27-23(14)31/h1-2,4,6-9H,3,5,10H2,(H,27,31)(H,28,29)(H,32,33).
What are the key properties of 4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid?
4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid has a molecular weight of 462.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(6-fluoro-1H-indazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 44547626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).