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

C20H13N5O2 — CID 122478385

IUPACmethyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ncccc2-c2ccc3ncc(C#N)n3c2)nc1
InChIInChI=1S/C20H13N5O2/c1-27-20(26)13-4-6-17(23-10-13)19-16(3-2-8-22-19)14-5-7-18-24-11-15(9-21)25(18)12-14/h2-8,10-12H,1H3
InChIKeyGMNQJDRCBDRXLA-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.12
Rot. Bonds3

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

methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate (PubChem CID 122478385) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate
PubChem CID122478385
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC Namemethyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ncccc2-c2ccc3ncc(C#N)n3c2)nc1
InChIInChI=1S/C20H13N5O2/c1-27-20(26)13-4-6-17(23-10-13)19-16(3-2-8-22-19)14-5-7-18-24-11-15(9-21)25(18)12-14/h2-8,10-12H,1H3
InChIKeyGMNQJDRCBDRXLA-UHFFFAOYSA-N
XLogP3.12
TPSA93.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate (CID 122478385) is methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2ncccc2-c2ccc3ncc(C#N)n3c2)nc1.
What is the InChIKey of methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate?
The InChIKey is GMNQJDRCBDRXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c1-27-20(26)13-4-6-17(23-10-13)19-16(3-2-8-22-19)14-5-7-18-24-11-15(9-21)25(18)12-14/h2-8,10-12H,1H3.
What are the key properties of methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate?
methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate has a molecular weight of 355.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate is sourced from PubChem (CID 122478385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).