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

C23H14FN5O4 — CID 44547777

IUPAC4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-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)cc2n1Cc1cnc2nc[nH]c2c1
InChIInChI=1S/C23H14FN5O4/c24-14-7-16-18(20-12(14)3-5-33-20)17(13-2-1-4-25-22(13)30)19(23(31)32)29(16)9-11-6-15-21(26-8-11)28-10-27-15/h1-8,10H,9H2,(H,25,30)(H,31,32)(H,26,27,28)
InChIKeyNCBDTNUTBYAZKR-UHFFFAOYSA-N
MW443.39 g/mol
LogP3.90
Rot. Bonds4

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

4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (PubChem CID 44547777) has the molecular formula C23H14FN5O4 and a molecular weight of 443.39 g/mol. Its IUPAC name is 4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid
PubChem CID44547777
Molecular FormulaC23H14FN5O4
Molecular Weight443.39 g/mol
Exact Mass443.10
IUPAC Name4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-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)cc2n1Cc1cnc2nc[nH]c2c1
InChIInChI=1S/C23H14FN5O4/c24-14-7-16-18(20-12(14)3-5-33-20)17(13-2-1-4-25-22(13)30)19(23(31)32)29(16)9-11-6-15-21(26-8-11)28-10-27-15/h1-8,10H,9H2,(H,25,30)(H,31,32)(H,26,27,28)
InChIKeyNCBDTNUTBYAZKR-UHFFFAOYSA-N
XLogP3.90
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The IUPAC name of 4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid (CID 44547777) is 4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid.
What is the SMILES notation for 4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The canonical SMILES for 4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-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)cc2n1Cc1cnc2nc[nH]c2c1.
What is the InChIKey of 4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
The InChIKey is NCBDTNUTBYAZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN5O4/c24-14-7-16-18(20-12(14)3-5-33-20)17(13-2-1-4-25-22(13)30)19(23(31)32)29(16)9-11-6-15-21(26-8-11)28-10-27-15/h1-8,10H,9H2,(H,25,30)(H,31,32)(H,26,27,28).
What are the key properties of 4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid?
4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid has a molecular weight of 443.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(1H-imidazo[4,5-b]pyridin-6-ylmethyl)-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid is sourced from PubChem (CID 44547777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).