5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol

C25H29N7O — CID 156887542

About 5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol

5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol (PubChem CID 156887542) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

• Compound Name: 5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
• PubChem CID: 156887542
• Molecular Formula: C25H29N7O
• Molecular Weight: 443.56 g/mol
• Exact Mass: 443.24
• IUPAC Name: 5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
• SMILES: Cc1cc(-c2ccc(-c3cnc(N4CCN[C@@H](C(C)C)C4)nn3)c(O)c2)cc2cn(C)nc12
• InChI: InChI=1S/C25H29N7O/c1-15(2)22-14-32(8-7-26-22)25-27-12-21(28-29-25)20-6-5-17(11-23(20)33)18-9-16(3)24-19(10-18)13-31(4)30-24/h5-6,9-13,15,22,26,33H,7-8,14H2,1-4H3/t22-/m1/s1
• InChIKey: GNCLTWWMXKNVHD-JOCHJYFZSA-N
• XLogP: 3.54
• TPSA: 91.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.56
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol?

The IUPAC name of 5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol (CID 156887542) is 5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol.

What is the SMILES notation for 5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol?

The canonical SMILES for 5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol is Cc1cc(-c2ccc(-c3cnc(N4CCN[C@@H](C(C)C)C4)nn3)c(O)c2)cc2cn(C)nc12.

What is the InChIKey of 5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol?

The InChIKey is GNCLTWWMXKNVHD-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H29N7O/c1-15(2)22-14-32(8-7-26-22)25-27-12-21(28-29-25)20-6-5-17(11-23(20)33)18-9-16(3)24-19(10-18)13-31(4)30-24/h5-6,9-13,15,22,26,33H,7-8,14H2,1-4H3/t22-/m1/s1.

What are the key properties of 5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol?

5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol has a molecular weight of 443.56 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 156887542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).