6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid

C29H19N5O3 — CID 59334058

IUPAC6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)ccc2n1
InChIInChI=1S/C29H19N5O3/c35-28(21-11-13-31-27-20(21)10-12-30-27)33-26-19-5-2-1-4-18(19)25-17(6-3-7-22(25)26)16-8-9-24-32-23(29(36)37)15-34(24)14-16/h1-15,26H,(H,30,31)(H,33,35)(H,36,37)
InChIKeyRDCDNJCTJGYXMA-UHFFFAOYSA-N
MW485.50 g/mol
LogP5.08
Rot. Bonds4

About 6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid

6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 59334058) has the molecular formula C29H19N5O3 and a molecular weight of 485.50 g/mol. Its IUPAC name is 6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID59334058
Molecular FormulaC29H19N5O3
Molecular Weight485.50 g/mol
Exact Mass485.15
IUPAC Name6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)ccc2n1
InChIInChI=1S/C29H19N5O3/c35-28(21-11-13-31-27-20(21)10-12-30-27)33-26-19-5-2-1-4-18(19)25-17(6-3-7-22(25)26)16-8-9-24-32-23(29(36)37)15-34(24)14-16/h1-15,26H,(H,30,31)(H,33,35)(H,36,37)
InChIKeyRDCDNJCTJGYXMA-UHFFFAOYSA-N
XLogP5.08
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.50
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 59334058) is 6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1cn2cc(-c3cccc4c3-c3ccccc3C4NC(=O)c3ccnc4[nH]ccc34)ccc2n1.
What is the InChIKey of 6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is RDCDNJCTJGYXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N5O3/c35-28(21-11-13-31-27-20(21)10-12-30-27)33-26-19-5-2-1-4-18(19)25-17(6-3-7-22(25)26)16-8-9-24-32-23(29(36)37)15-34(24)14-16/h1-15,26H,(H,30,31)(H,33,35)(H,36,37).
What are the key properties of 6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 485.50 g/mol, XLogP of 5.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(1H-pyrrolo[2,3-b]pyridine-4-carbonylamino)-9H-fluoren-4-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 59334058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).