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

C24H27N5O2 — CID 162433516

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

6-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol (PubChem CID 162433516) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol.

Molecular Properties

• Compound Name: 6-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
• PubChem CID: 162433516
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: 6-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol
• SMILES: Cc1nc2cc(O)c(-c3ccc4nc(N5CC[C@H](NC(C)(C)C)C5)ccc4n3)cc2o1
• InChI: InChI=1S/C24H27N5O2/c1-14-25-20-12-21(30)16(11-22(20)31-14)17-5-6-19-18(26-17)7-8-23(27-19)29-10-9-15(13-29)28-24(2,3)4/h5-8,11-12,15,28,30H,9-10,13H2,1-4H3/t15-/m0/s1
• InChIKey: CWLTZXXYFCWOJK-HNNXBMFYSA-N
• XLogP: 4.42
• TPSA: 87.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol (CID 162433516) is 6-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol.

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

The canonical SMILES for 6-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol is Cc1nc2cc(O)c(-c3ccc4nc(N5CC[C@H](NC(C)(C)C)C5)ccc4n3)cc2o1.

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

The InChIKey is CWLTZXXYFCWOJK-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-14-25-20-12-21(30)16(11-22(20)31-14)17-5-6-19-18(26-17)7-8-23(27-19)29-10-9-15(13-29)28-24(2,3)4/h5-8,11-12,15,28,30H,9-10,13H2,1-4H3/t15-/m0/s1.

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

6-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol has a molecular weight of 417.51 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[(3S)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methyl-1,3-benzoxazol-5-ol is sourced from PubChem (CID 162433516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).