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

C24H14ClFN4O4 — CID 44548904

IUPAC6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2cn[nH]c2cc1Cl
InChIInChI=1S/C24H14ClFN4O4/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/h1-9H,10H2,(H,27,31)(H,28,29)(H,32,33)
InChIKeyQUNQOTFCYLJBLV-UHFFFAOYSA-N
MW476.85 g/mol
LogP5.16
Rot. Bonds4

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

6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 44548904) has the molecular formula C24H14ClFN4O4 and a molecular weight of 476.85 g/mol. Its IUPAC name is 6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID44548904
Molecular FormulaC24H14ClFN4O4
Molecular Weight476.85 g/mol
Exact Mass476.07
IUPAC Name6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
SMILESO=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2cn[nH]c2cc1Cl
InChIInChI=1S/C24H14ClFN4O4/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/h1-9H,10H2,(H,27,31)(H,28,29)(H,32,33)
InChIKeyQUNQOTFCYLJBLV-UHFFFAOYSA-N
XLogP5.16
TPSA116.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.85
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 44548904) is 6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is O=C(O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2cn[nH]c2cc1Cl.
What is the InChIKey of 6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is QUNQOTFCYLJBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClFN4O4/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/h1-9H,10H2,(H,27,31)(H,28,29)(H,32,33).
What are the key properties of 6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 476.85 g/mol, XLogP of 5.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-1H-indazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 44548904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).