6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid

C18H14N6O2 — CID 59176849

IUPAC6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid
SMILESCc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C18H14N6O2/c1-11-16(24-9-3-2-4-15(24)21-11)13-7-8-19-18(22-13)23-14-6-5-12(10-20-14)17(25)26/h2-10H,1H3,(H,25,26)(H,19,20,22,23)
InChIKeyKWKRZBLIDGBQHW-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.94
Rot. Bonds4

About 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid

6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid (PubChem CID 59176849) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid
PubChem CID59176849
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid
SMILESCc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)cn2)n1
InChIInChI=1S/C18H14N6O2/c1-11-16(24-9-3-2-4-15(24)21-11)13-7-8-19-18(22-13)23-14-6-5-12(10-20-14)17(25)26/h2-10H,1H3,(H,25,26)(H,19,20,22,23)
InChIKeyKWKRZBLIDGBQHW-UHFFFAOYSA-N
XLogP2.94
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid (CID 59176849) is 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid is Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(=O)O)cn2)n1.
What is the InChIKey of 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is KWKRZBLIDGBQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-11-16(24-9-3-2-4-15(24)21-11)13-7-8-19-18(22-13)23-14-6-5-12(10-20-14)17(25)26/h2-10H,1H3,(H,25,26)(H,19,20,22,23).
What are the key properties of 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid?
6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 346.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 59176849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).