5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol

C23H25ClN6O — CID 170012033

About 5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol

5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol (PubChem CID 170012033) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol.

Molecular Properties

• Compound Name: 5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
• PubChem CID: 170012033
• Molecular Formula: C23H25ClN6O
• Molecular Weight: 436.95 g/mol
• Exact Mass: 436.18
• IUPAC Name: 5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
• SMILES: Cc1c(O)c(-c2ccc3c(Cl)c(N4C[C@H](C)N[C@@H](C)C4)cnc3n2)cc2cn(C)nc12
• InChI: InChI=1S/C23H25ClN6O/c1-12-9-30(10-13(2)26-12)19-8-25-23-16(20(19)24)5-6-18(27-23)17-7-15-11-29(4)28-21(15)14(3)22(17)31/h5-8,11-13,26,31H,9-10H2,1-4H3/t12-,13-/m0/s1
• InChIKey: VDKTVYLJGPRBID-STQMWFEESA-N
• XLogP: 4.04
• TPSA: 79.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.95
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol?

The IUPAC name of 5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol (CID 170012033) is 5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol.

What is the SMILES notation for 5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol?

The canonical SMILES for 5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol is Cc1c(O)c(-c2ccc3c(Cl)c(N4C[C@H](C)N[C@@H](C)C4)cnc3n2)cc2cn(C)nc12.

What is the InChIKey of 5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol?

The InChIKey is VDKTVYLJGPRBID-STQMWFEESA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-12-9-30(10-13(2)26-12)19-8-25-23-16(20(19)24)5-6-18(27-23)17-7-15-11-29(4)28-21(15)14(3)22(17)31/h5-8,11-13,26,31H,9-10H2,1-4H3/t12-,13-/m0/s1.

What are the key properties of 5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol?

5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol has a molecular weight of 436.95 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol is sourced from PubChem (CID 170012033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).