6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol

C23H23N5O2 — CID 162433586

About 6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol

6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol (PubChem CID 162433586) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol.

Molecular Properties

• Compound Name: 6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
• PubChem CID: 162433586
• Molecular Formula: C23H23N5O2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.19
• IUPAC Name: 6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
• SMILES: Cc1nc2cc(O)c(-c3ccc4nc(N5CCC(NC6CC6)C5)ccc4n3)cc2o1
• InChI: InChI=1S/C23H23N5O2/c1-13-24-20-11-21(29)16(10-22(20)30-13)17-4-5-19-18(26-17)6-7-23(27-19)28-9-8-15(12-28)25-14-2-3-14/h4-7,10-11,14-15,25,29H,2-3,8-9,12H2,1H3
• InChIKey: LBKADAYJXDERPL-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 87.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol?

The IUPAC name of 6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol (CID 162433586) is 6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol.

What is the SMILES notation for 6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol?

The canonical SMILES for 6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol is Cc1nc2cc(O)c(-c3ccc4nc(N5CCC(NC6CC6)C5)ccc4n3)cc2o1.

What is the InChIKey of 6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol?

The InChIKey is LBKADAYJXDERPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-13-24-20-11-21(29)16(10-22(20)30-13)17-4-5-19-18(26-17)6-7-23(27-19)28-9-8-15(12-28)25-14-2-3-14/h4-7,10-11,14-15,25,29H,2-3,8-9,12H2,1H3.

What are the key properties of 6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol?

6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol has a molecular weight of 401.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[3-(cyclopropylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol is sourced from PubChem (CID 162433586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).