2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid

C23H13F3N4O4 — CID 44546728

IUPAC2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2cc(Cn3ccc4c(C(=O)c5c(F)cc(F)cc5F)c[nH]c4c3=O)nc2c1
InChIInChI=1S/C23H13F3N4O4/c24-12-6-16(25)19(17(26)7-12)21(31)15-8-27-20-14(15)2-4-30(22(20)32)10-13-9-29-3-1-11(23(33)34)5-18(29)28-13/h1-9,27H,10H2,(H,33,34)
InChIKeyYTDCMMJJKDSRRA-UHFFFAOYSA-N
MW466.38 g/mol
LogP3.37
Rot. Bonds5

About 2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid

2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 44546728) has the molecular formula C23H13F3N4O4 and a molecular weight of 466.38 g/mol. Its IUPAC name is 2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID44546728
Molecular FormulaC23H13F3N4O4
Molecular Weight466.38 g/mol
Exact Mass466.09
IUPAC Name2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2cc(Cn3ccc4c(C(=O)c5c(F)cc(F)cc5F)c[nH]c4c3=O)nc2c1
InChIInChI=1S/C23H13F3N4O4/c24-12-6-16(25)19(17(26)7-12)21(31)15-8-27-20-14(15)2-4-30(22(20)32)10-13-9-29-3-1-11(23(33)34)5-18(29)28-13/h1-9,27H,10H2,(H,33,34)
InChIKeyYTDCMMJJKDSRRA-UHFFFAOYSA-N
XLogP3.37
TPSA109.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 44546728) is 2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2cc(Cn3ccc4c(C(=O)c5c(F)cc(F)cc5F)c[nH]c4c3=O)nc2c1.
What is the InChIKey of 2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is YTDCMMJJKDSRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N4O4/c24-12-6-16(25)19(17(26)7-12)21(31)15-8-27-20-14(15)2-4-30(22(20)32)10-13-9-29-3-1-11(23(33)34)5-18(29)28-13/h1-9,27H,10H2,(H,33,34).
What are the key properties of 2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 466.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-oxo-3-(2,4,6-trifluorobenzoyl)-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 44546728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).