2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid

C20H14N4O2 — CID 68686481

IUPAC2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESNC1c2ccccc2-c2c(-c3nc4cc(C(=O)O)ncc4[nH]3)cccc21
InChIInChI=1S/C20H14N4O2/c21-18-11-5-2-1-4-10(11)17-12(18)6-3-7-13(17)19-23-14-8-15(20(25)26)22-9-16(14)24-19/h1-9,18H,21H2,(H,23,24)(H,25,26)
InChIKeyCMQWUICHTRHVCG-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.35
Rot. Bonds2

About 2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid

2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 68686481) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID68686481
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
SMILESNC1c2ccccc2-c2c(-c3nc4cc(C(=O)O)ncc4[nH]3)cccc21
InChIInChI=1S/C20H14N4O2/c21-18-11-5-2-1-4-10(11)17-12(18)6-3-7-13(17)19-23-14-8-15(20(25)26)22-9-16(14)24-19/h1-9,18H,21H2,(H,23,24)(H,25,26)
InChIKeyCMQWUICHTRHVCG-UHFFFAOYSA-N
XLogP3.35
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 68686481) is 2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid is NC1c2ccccc2-c2c(-c3nc4cc(C(=O)O)ncc4[nH]3)cccc21.
What is the InChIKey of 2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is CMQWUICHTRHVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c21-18-11-5-2-1-4-10(11)17-12(18)6-3-7-13(17)19-23-14-8-15(20(25)26)22-9-16(14)24-19/h1-9,18H,21H2,(H,23,24)(H,25,26).
What are the key properties of 2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid?
2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 342.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 68686481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).