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

C24H28N6O — CID 162433822

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

5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol (PubChem CID 162433822) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol.

Molecular Properties

• Compound Name: 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
• PubChem CID: 162433822
• Molecular Formula: C24H28N6O
• Molecular Weight: 416.53 g/mol
• Exact Mass: 416.23
• IUPAC Name: 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
• SMILES: Cn1cc2cc(-c3ccc4nc(N5CC[C@@H](NC(C)(C)C)C5)ccc4n3)c(O)cc2n1
• InChI: InChI=1S/C24H28N6O/c1-24(2,3)27-16-9-10-30(14-16)23-8-7-19-20(26-23)6-5-18(25-19)17-11-15-13-29(4)28-21(15)12-22(17)31/h5-8,11-13,16,27,31H,9-10,14H2,1-4H3/t16-/m1/s1
• InChIKey: QNQNSEJFMHYZNB-MRXNPFEDSA-N
• XLogP: 3.86
• TPSA: 79.10 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	416.53
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol (CID 162433822) is 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol.

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

The canonical SMILES for 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol is Cn1cc2cc(-c3ccc4nc(N5CC[C@@H](NC(C)(C)C)C5)ccc4n3)c(O)cc2n1.

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

The InChIKey is QNQNSEJFMHYZNB-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H28N6O/c1-24(2,3)27-16-9-10-30(14-16)23-8-7-19-20(26-23)6-5-18(25-19)17-11-15-13-29(4)28-21(15)12-22(17)31/h5-8,11-13,16,27,31H,9-10,14H2,1-4H3/t16-/m1/s1.

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

5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol has a molecular weight of 416.53 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol is sourced from PubChem (CID 162433822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).