2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol

C24H26N6O2 — CID 168977496

About 2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol

2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol (PubChem CID 168977496) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol.

Molecular Properties

• Compound Name: 2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol
• PubChem CID: 168977496
• Molecular Formula: C24H26N6O2
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.21
• IUPAC Name: 2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol
• SMILES: Cc1c(O)c(-c2ccc3nc(N4CCC(NC5COC5)C4)ccc3n2)cc2cn(C)nc12
• InChI: InChI=1S/C24H26N6O2/c1-14-23-15(10-29(2)28-23)9-18(24(14)31)19-3-4-21-20(26-19)5-6-22(27-21)30-8-7-16(11-30)25-17-12-32-13-17/h3-6,9-10,16-17,25,31H,7-8,11-13H2,1-2H3
• InChIKey: PUBGAXGNBOMBDZ-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 88.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol?

The IUPAC name of 2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol (CID 168977496) is 2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol.

What is the SMILES notation for 2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol?

The canonical SMILES for 2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol is Cc1c(O)c(-c2ccc3nc(N4CCC(NC5COC5)C4)ccc3n2)cc2cn(C)nc12.

What is the InChIKey of 2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol?

The InChIKey is PUBGAXGNBOMBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-14-23-15(10-29(2)28-23)9-18(24(14)31)19-3-4-21-20(26-19)5-6-22(27-21)30-8-7-16(11-30)25-17-12-32-13-17/h3-6,9-10,16-17,25,31H,7-8,11-13H2,1-2H3.

What are the key properties of 2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol?

2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol has a molecular weight of 430.51 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-5-[6-[3-(oxetan-3-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol is sourced from PubChem (CID 168977496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).