1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one

C20H19N5O — CID 44583646

IUPAC1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
SMILESCc1nc2c(NCc3cccnc3)cc(-n3ccccc3=O)cn2c1C
InChIInChI=1S/C20H19N5O/c1-14-15(2)25-13-17(24-9-4-3-7-19(24)26)10-18(20(25)23-14)22-12-16-6-5-8-21-11-16/h3-11,13,22H,12H2,1-2H3
InChIKeyCBSTWWNKPZEYLR-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.11
Rot. Bonds4

About 1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one

1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one (PubChem CID 44583646) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
PubChem CID44583646
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
SMILESCc1nc2c(NCc3cccnc3)cc(-n3ccccc3=O)cn2c1C
InChIInChI=1S/C20H19N5O/c1-14-15(2)25-13-17(24-9-4-3-7-19(24)26)10-18(20(25)23-14)22-12-16-6-5-8-21-11-16/h3-11,13,22H,12H2,1-2H3
InChIKeyCBSTWWNKPZEYLR-UHFFFAOYSA-N
XLogP3.11
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The IUPAC name of 1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one (CID 44583646) is 1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one.
What is the SMILES notation for 1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The canonical SMILES for 1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one is Cc1nc2c(NCc3cccnc3)cc(-n3ccccc3=O)cn2c1C.
What is the InChIKey of 1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
The InChIKey is CBSTWWNKPZEYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14-15(2)25-13-17(24-9-4-3-7-19(24)26)10-18(20(25)23-14)22-12-16-6-5-8-21-11-16/h3-11,13,22H,12H2,1-2H3.
What are the key properties of 1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one?
1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one has a molecular weight of 345.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one is sourced from PubChem (CID 44583646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).