4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile

C29H28N6O — CID 71719838

About 4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile

4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile (PubChem CID 71719838) has the molecular formula C29H28N6O and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile
• PubChem CID: 71719838
• Molecular Formula: C29H28N6O
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.23
• IUPAC Name: 4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile
• SMILES: Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc2cc(N3CCC3)ncc2[nH]1
• InChI: InChI=1S/C29H28N6O/c1-19-3-6-23(29(36)35-13-9-22(10-14-35)21-7-4-20(17-30)5-8-21)15-24(19)28-32-25-16-27(34-11-2-12-34)31-18-26(25)33-28/h3-8,15-16,18,22H,2,9-14H2,1H3,(H,32,33)
• InChIKey: ZQWHAXATAXETST-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 88.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile?

The IUPAC name of 4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile (CID 71719838) is 4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile.

What is the SMILES notation for 4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile?

The canonical SMILES for 4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc2cc(N3CCC3)ncc2[nH]1.

What is the InChIKey of 4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile?

The InChIKey is ZQWHAXATAXETST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O/c1-19-3-6-23(29(36)35-13-9-22(10-14-35)21-7-4-20(17-30)5-8-21)15-24(19)28-32-25-16-27(34-11-2-12-34)31-18-26(25)33-28/h3-8,15-16,18,22H,2,9-14H2,1H3,(H,32,33).

What are the key properties of 4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile?

4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile has a molecular weight of 476.58 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[3-[6-(azetidin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile is sourced from PubChem (CID 71719838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).