methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate

C21H15N5O2 — CID 122478464

IUPACmethyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cccc(C)n2)c1-c1ccc2ncc(C#N)n2c1
InChIInChI=1S/C21H15N5O2/c1-13-4-3-5-17(25-13)20-19(16(8-9-23-20)21(27)28-2)14-6-7-18-24-11-15(10-22)26(18)12-14/h3-9,11-12H,1-2H3
InChIKeyOAIGGGNSCWNWCA-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.42
Rot. Bonds3

About methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate

methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate (PubChem CID 122478464) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate
PubChem CID122478464
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Namemethyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cccc(C)n2)c1-c1ccc2ncc(C#N)n2c1
InChIInChI=1S/C21H15N5O2/c1-13-4-3-5-17(25-13)20-19(16(8-9-23-20)21(27)28-2)14-6-7-18-24-11-15(10-22)26(18)12-14/h3-9,11-12H,1-2H3
InChIKeyOAIGGGNSCWNWCA-UHFFFAOYSA-N
XLogP3.42
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate?
The IUPAC name of methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate (CID 122478464) is methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate is COC(=O)c1ccnc(-c2cccc(C)n2)c1-c1ccc2ncc(C#N)n2c1.
What is the InChIKey of methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate?
The InChIKey is OAIGGGNSCWNWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c1-13-4-3-5-17(25-13)20-19(16(8-9-23-20)21(27)28-2)14-6-7-18-24-11-15(10-22)26(18)12-14/h3-9,11-12H,1-2H3.
What are the key properties of methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate?
methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-(6-methyl-2-pyridinyl)pyridine-4-carboxylate is sourced from PubChem (CID 122478464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).