3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile

C22H27N5 — CID 146555189

About 3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile

3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile (PubChem CID 146555189) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile.

Molecular Properties

• Compound Name: 3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile
• PubChem CID: 146555189
• Molecular Formula: C22H27N5
• Molecular Weight: 361.49 g/mol
• Exact Mass: 361.23
• IUPAC Name: 3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile
• SMILES: Cc1cccnc1[C@@H]1CCC[C@H](C2N=C3C=CC=CN3C2CCC#N)N1C
• InChI: InChI=1S/C22H27N5/c1-16-8-7-14-24-21(16)17-9-5-10-18(26(17)2)22-19(11-6-13-23)27-15-4-3-12-20(27)25-22/h3-4,7-8,12,14-15,17-19,22H,5-6,9-11H2,1-2H3/t17-,18+,19?,22?/m0/s1
• InChIKey: MWTIGNFDGSNRRK-KHKYRLRFSA-N
• XLogP: 3.75
• TPSA: 55.52 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.49
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile?

The IUPAC name of 3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile (CID 146555189) is 3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile.

What is the SMILES notation for 3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile?

The canonical SMILES for 3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile is Cc1cccnc1[C@@H]1CCC[C@H](C2N=C3C=CC=CN3C2CCC#N)N1C.

What is the InChIKey of 3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile?

The InChIKey is MWTIGNFDGSNRRK-KHKYRLRFSA-N. The full InChI is InChI=1S/C22H27N5/c1-16-8-7-14-24-21(16)17-9-5-10-18(26(17)2)22-19(11-6-13-23)27-15-4-3-12-20(27)25-22/h3-4,7-8,12,14-15,17-19,22H,5-6,9-11H2,1-2H3/t17-,18+,19?,22?/m0/s1.

What are the key properties of 3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile?

3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile has a molecular weight of 361.49 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-2,3-dihydroimidazo[1,2-a]pyridin-3-yl]propanenitrile is sourced from PubChem (CID 146555189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).