6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol

C25H30N6O — CID 168977780

About 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol

6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol (PubChem CID 168977780) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol.

Molecular Properties

• Compound Name: 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol
• PubChem CID: 168977780
• Molecular Formula: C25H30N6O
• Molecular Weight: 430.56 g/mol
• Exact Mass: 430.25
• IUPAC Name: 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol
• SMILES: Cc1nc2cc(O)c(-c3ccc4nc(N5CCC(NC(C)(C)C)C5)ccc4n3)cc2n1C
• InChI: InChI=1S/C25H30N6O/c1-15-26-21-13-23(32)17(12-22(21)30(15)5)18-6-7-20-19(27-18)8-9-24(28-20)31-11-10-16(14-31)29-25(2,3)4/h6-9,12-13,16,29,32H,10-11,14H2,1-5H3
• InChIKey: QESYITGIOJAAFV-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 79.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.56
LogP ≤ 5	4.16
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]-1,2-dimethylbenzimidazol-5-ol?

The IUPAC name of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol (CID 168977780) is 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol.

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

The canonical SMILES for 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol is Cc1nc2cc(O)c(-c3ccc4nc(N5CCC(NC(C)(C)C)C5)ccc4n3)cc2n1C.

What is the InChIKey of 6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol?

The InChIKey is QESYITGIOJAAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-15-26-21-13-23(32)17(12-22(21)30(15)5)18-6-7-20-19(27-18)8-9-24(28-20)31-11-10-16(14-31)29-25(2,3)4/h6-9,12-13,16,29,32H,10-11,14H2,1-5H3.

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

6-[6-[3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-1,2-dimethylbenzimidazol-5-ol has a molecular weight of 430.56 g/mol, XLogP of 4.16, 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]-1,2-dimethylbenzimidazol-5-ol is sourced from PubChem (CID 168977780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).