5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile

C16H14N4O — CID 65336599

IUPAC5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile
SMILESCOc1ccc(-c2nc3cc(C)ccn3c2N)cc1C#N
InChIInChI=1S/C16H14N4O/c1-10-5-6-20-14(7-10)19-15(16(20)18)11-3-4-13(21-2)12(8-11)9-17/h3-8H,18H2,1-2H3
InChIKeyDTAYABBEJONPHG-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.77
Rot. Bonds2

About 5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile

5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile (PubChem CID 65336599) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile
PubChem CID65336599
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile
SMILESCOc1ccc(-c2nc3cc(C)ccn3c2N)cc1C#N
InChIInChI=1S/C16H14N4O/c1-10-5-6-20-14(7-10)19-15(16(20)18)11-3-4-13(21-2)12(8-11)9-17/h3-8H,18H2,1-2H3
InChIKeyDTAYABBEJONPHG-UHFFFAOYSA-N
XLogP2.77
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile?
The IUPAC name of 5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile (CID 65336599) is 5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile.
What is the SMILES notation for 5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile?
The canonical SMILES for 5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile is COc1ccc(-c2nc3cc(C)ccn3c2N)cc1C#N.
What is the InChIKey of 5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile?
The InChIKey is DTAYABBEJONPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-5-6-20-14(7-10)19-15(16(20)18)11-3-4-13(21-2)12(8-11)9-17/h3-8H,18H2,1-2H3.
What are the key properties of 5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile?
5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile has a molecular weight of 278.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-7-methylimidazo[1,2-a]pyridin-2-yl)-2-methoxybenzonitrile is sourced from PubChem (CID 65336599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).