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

C18H14N6O2 — CID 10043227

IUPAC3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCc1cccc(-c2nc3cc(C(=O)O)ccn3c2-c2ccnc(N)n2)n1
InChIInChI=1S/C18H14N6O2/c1-10-3-2-4-12(21-10)15-16(13-5-7-20-18(19)22-13)24-8-6-11(17(25)26)9-14(24)23-15/h2-9H,1H3,(H,25,26)(H2,19,20,22)
InChIKeyQAALUNOPVWULBE-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.44
Rot. Bonds3

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

3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 10043227) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID10043227
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCc1cccc(-c2nc3cc(C(=O)O)ccn3c2-c2ccnc(N)n2)n1
InChIInChI=1S/C18H14N6O2/c1-10-3-2-4-12(21-10)15-16(13-5-7-20-18(19)22-13)24-8-6-11(17(25)26)9-14(24)23-15/h2-9H,1H3,(H,25,26)(H2,19,20,22)
InChIKeyQAALUNOPVWULBE-UHFFFAOYSA-N
XLogP2.44
TPSA119.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid (CID 10043227) is 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid is Cc1cccc(-c2nc3cc(C(=O)O)ccn3c2-c2ccnc(N)n2)n1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is QAALUNOPVWULBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-10-3-2-4-12(21-10)15-16(13-5-7-20-18(19)22-13)24-8-6-11(17(25)26)9-14(24)23-15/h2-9H,1H3,(H,25,26)(H2,19,20,22).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 346.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 10043227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).