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

C20H15N5O3 — CID 122478540

IUPACmethyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ncccc2-c2ccc3ncc(C(N)=O)n3c2)nc1
InChIInChI=1S/C20H15N5O3/c1-28-20(27)12-4-6-15(23-9-12)18-14(3-2-8-22-18)13-5-7-17-24-10-16(19(21)26)25(17)11-13/h2-11H,1H3,(H2,21,26)
InChIKeyQIPYYLAKAPSLSW-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.34
Rot. Bonds4

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

methyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate (PubChem CID 122478540) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is methyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate
PubChem CID122478540
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Namemethyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ncccc2-c2ccc3ncc(C(N)=O)n3c2)nc1
InChIInChI=1S/C20H15N5O3/c1-28-20(27)12-4-6-15(23-9-12)18-14(3-2-8-22-18)13-5-7-17-24-10-16(19(21)26)25(17)11-13/h2-11H,1H3,(H2,21,26)
InChIKeyQIPYYLAKAPSLSW-UHFFFAOYSA-N
XLogP2.34
TPSA112.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate (CID 122478540) is methyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2ncccc2-c2ccc3ncc(C(N)=O)n3c2)nc1.
What is the InChIKey of methyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate?
The InChIKey is QIPYYLAKAPSLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-28-20(27)12-4-6-15(23-9-12)18-14(3-2-8-22-18)13-5-7-17-24-10-16(19(21)26)25(17)11-13/h2-11H,1H3,(H2,21,26).
What are the key properties of methyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate?
methyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate has a molecular weight of 373.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyridine-3-carboxylate is sourced from PubChem (CID 122478540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).