5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine

C22H23N7O — CID 121419858

About 5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine

5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine (PubChem CID 121419858) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

• Compound Name: 5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
• PubChem CID: 121419858
• Molecular Formula: C22H23N7O
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.20
• IUPAC Name: 5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine
• SMILES: Nc1nc2cc(-c3ccc4ncc(N5CC(N6CCNCC6)C5)cc4n3)ccc2o1
• InChI: InChI=1S/C22H23N7O/c23-22-27-20-9-14(1-4-21(20)30-22)17-2-3-18-19(26-17)10-15(11-25-18)29-12-16(13-29)28-7-5-24-6-8-28/h1-4,9-11,16,24H,5-8,12-13H2,(H2,23,27)
• InChIKey: YCZYHPWRAHPZMS-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 96.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine?

The IUPAC name of 5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine (CID 121419858) is 5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine.

What is the SMILES notation for 5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine?

The canonical SMILES for 5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3ccc4ncc(N5CC(N6CCNCC6)C5)cc4n3)ccc2o1.

What is the InChIKey of 5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine?

The InChIKey is YCZYHPWRAHPZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c23-22-27-20-9-14(1-4-21(20)30-22)17-2-3-18-19(26-17)10-15(11-25-18)29-12-16(13-29)28-7-5-24-6-8-28/h1-4,9-11,16,24H,5-8,12-13H2,(H2,23,27).

What are the key properties of 5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine?

5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine has a molecular weight of 401.47 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-(3-piperazin-1-ylazetidin-1-yl)-1,5-naphthyridin-2-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 121419858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).