3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid

C24H18N6O2 — CID 69383169

IUPAC3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCc1cccc(-c2nc3cc(C(=O)O)ccn3c2-c2ccnc(Nc3ccccc3)n2)n1
InChIInChI=1S/C24H18N6O2/c1-15-6-5-9-18(26-15)21-22(30-13-11-16(23(31)32)14-20(30)29-21)19-10-12-25-24(28-19)27-17-7-3-2-4-8-17/h2-14H,1H3,(H,31,32)(H,25,27,28)
InChIKeyIKPCTURJHIEOSG-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.60
Rot. Bonds5

About 3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid

3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 69383169) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID69383169
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC Name3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCc1cccc(-c2nc3cc(C(=O)O)ccn3c2-c2ccnc(Nc3ccccc3)n2)n1
InChIInChI=1S/C24H18N6O2/c1-15-6-5-9-18(26-15)21-22(30-13-11-16(23(31)32)14-20(30)29-21)19-10-12-25-24(28-19)27-17-7-3-2-4-8-17/h2-14H,1H3,(H,31,32)(H,25,27,28)
InChIKeyIKPCTURJHIEOSG-UHFFFAOYSA-N
XLogP4.60
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid (CID 69383169) is 3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid is Cc1cccc(-c2nc3cc(C(=O)O)ccn3c2-c2ccnc(Nc3ccccc3)n2)n1.
What is the InChIKey of 3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is IKPCTURJHIEOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c1-15-6-5-9-18(26-15)21-22(30-13-11-16(23(31)32)14-20(30)29-21)19-10-12-25-24(28-19)27-17-7-3-2-4-8-17/h2-14H,1H3,(H,31,32)(H,25,27,28).
What are the key properties of 3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 422.45 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilinopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 69383169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).