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

C19H16N6O2 — CID 69378847

IUPAC3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCc1cccc(-c2nc3ccc(C(=O)O)cn3c2-c2ccnc(N)n2)n1
InChIInChI=1S/C19H16N6O2/c1-2-12-4-3-5-13(22-12)16-17(14-8-9-21-19(20)23-14)25-10-11(18(26)27)6-7-15(25)24-16/h3-10H,2H2,1H3,(H,26,27)(H2,20,21,23)
InChIKeySYYMTLDUPGDZNH-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.70
Rot. Bonds4

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

3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 69378847) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID69378847
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCCc1cccc(-c2nc3ccc(C(=O)O)cn3c2-c2ccnc(N)n2)n1
InChIInChI=1S/C19H16N6O2/c1-2-12-4-3-5-13(22-12)16-17(14-8-9-21-19(20)23-14)25-10-11(18(26)27)6-7-15(25)24-16/h3-10H,2H2,1H3,(H,26,27)(H2,20,21,23)
InChIKeySYYMTLDUPGDZNH-UHFFFAOYSA-N
XLogP2.70
TPSA119.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid with MolForge

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Related Compounds

3-[(1-Methyl-1h-Pyrrolo[2,3-B]pyridin-3-Yl)amino]pyridine-4-Carboxylic Acid
CID 76283751
Imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
Imidazo[1,2-a]pyridine-6-carboxylic acid, 2-(3-aminophenyl)-, methyl ester
CID 3845864
Methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 10739343
4-({1-[5-(hydroxymethyl)pyridine-2-yl]piperidine-4-yl}amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 24958855
2-[[[1-[(E)-3-phenylprop-2-enyl]imidazol-2-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 118421047
(R)-6-((1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)(methyl)amino)nicotinic acid
CID 68029369
4-[4-(2-Butyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11167180
4-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11316515
4-[4-(5,7-Dimethyl-2-propyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-quinoline-3-carboxylic acid
CID 11374350

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 69378847) is 3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid is CCc1cccc(-c2nc3ccc(C(=O)O)cn3c2-c2ccnc(N)n2)n1.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is SYYMTLDUPGDZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-2-12-4-3-5-13(22-12)16-17(14-8-9-21-19(20)23-14)25-10-11(18(26)27)6-7-15(25)24-16/h3-10H,2H2,1H3,(H,26,27)(H2,20,21,23).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
3-(2-aminopyrimidin-4-yl)-2-(6-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 360.38 g/mol, XLogP of 2.70, 4 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-ethyl-2-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 69378847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).