6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane

C27H35N5O2 — CID 162433612

About 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane

6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane (PubChem CID 162433612) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane.

Molecular Properties

• Compound Name: 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane
• PubChem CID: 162433612
• Molecular Formula: C27H35N5O2
• Molecular Weight: 461.61 g/mol
• Exact Mass: 461.28
• IUPAC Name: 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane
• SMILES: CC.Cc1nc2c(C)c(O)c(-c3ccc4nc(N5CCC(NC(C)(C)C)C5)ccc4n3)cc2o1
• InChI: InChI=1S/C25H29N5O2.C2H6/c1-14-23-21(32-15(2)26-23)12-17(24(14)31)18-6-7-20-19(27-18)8-9-22(28-20)30-11-10-16(13-30)29-25(3,4)5;1-2/h6-9,12,16,29,31H,10-11,13H2,1-5H3;1-2H3
• InChIKey: RIDMIGRWRLOUJH-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 87.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.61
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane?

The IUPAC name of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane (CID 162433612) is 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane.

What is the SMILES notation for 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane?

The canonical SMILES for 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane is CC.Cc1nc2c(C)c(O)c(-c3ccc4nc(N5CCC(NC(C)(C)C)C5)ccc4n3)cc2o1.

What is the InChIKey of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane?

The InChIKey is RIDMIGRWRLOUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2.C2H6/c1-14-23-21(32-15(2)26-23)12-17(24(14)31)18-6-7-20-19(27-18)8-9-22(28-20)30-11-10-16(13-30)29-25(3,4)5;1-2/h6-9,12,16,29,31H,10-11,13H2,1-5H3;1-2H3.

What are the key properties of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane?

6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane has a molecular weight of 461.61 g/mol, XLogP of 5.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2,4-dimethyl-1,3-benzoxazol-5-ol;ethane is sourced from PubChem (CID 162433612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).