1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone

C19H22N6O — CID 141298988

IUPAC1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CNc1ccnc(-c2cnc3ccccn23)n1
InChIInChI=1S/C19H22N6O/c1-14(26)24-10-4-2-6-15(24)12-21-17-8-9-20-19(23-17)16-13-22-18-7-3-5-11-25(16)18/h3,5,7-9,11,13,15H,2,4,6,10,12H2,1H3,(H,20,21,23)
InChIKeyTYLWKBYPCMVGGN-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.60
Rot. Bonds4

About 1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone

1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone (PubChem CID 141298988) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone
PubChem CID141298988
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1CNc1ccnc(-c2cnc3ccccn23)n1
InChIInChI=1S/C19H22N6O/c1-14(26)24-10-4-2-6-15(24)12-21-17-8-9-20-19(23-17)16-13-22-18-7-3-5-11-25(16)18/h3,5,7-9,11,13,15H,2,4,6,10,12H2,1H3,(H,20,21,23)
InChIKeyTYLWKBYPCMVGGN-UHFFFAOYSA-N
XLogP2.60
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone (CID 141298988) is 1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1CNc1ccnc(-c2cnc3ccccn23)n1.
What is the InChIKey of 1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone?
The InChIKey is TYLWKBYPCMVGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14(26)24-10-4-2-6-15(24)12-21-17-8-9-20-19(23-17)16-13-22-18-7-3-5-11-25(16)18/h3,5,7-9,11,13,15H,2,4,6,10,12H2,1H3,(H,20,21,23).
What are the key properties of 1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone?
1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone has a molecular weight of 350.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 141298988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).