(1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol

C24H26N6O2 — CID 171503297

About (1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol

(1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol (PubChem CID 171503297) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is (1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol.

Molecular Properties

• Compound Name: (1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol
• PubChem CID: 171503297
• Molecular Formula: C24H26N6O2
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.21
• IUPAC Name: (1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol
• SMILES: C[C@H](O)c1nc(C2CC2)cc2c(-c3cccc(C4(Cc5nncn5C)COC4)c3)n[nH]c12
• InChI: InChI=1S/C24H26N6O2/c1-14(31)21-23-18(9-19(26-21)15-6-7-15)22(28-29-23)16-4-3-5-17(8-16)24(11-32-12-24)10-20-27-25-13-30(20)2/h3-5,8-9,13-15,31H,6-7,10-12H2,1-2H3,(H,28,29)/t14-/m0/s1
• InChIKey: KYJYUVDAAMMYDS-AWEZNQCLSA-N
• XLogP: 3.19
• TPSA: 101.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol?

The IUPAC name of (1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol (CID 171503297) is (1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol.

What is the SMILES notation for (1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol?

The canonical SMILES for (1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol is C[C@H](O)c1nc(C2CC2)cc2c(-c3cccc(C4(Cc5nncn5C)COC4)c3)n[nH]c12.

What is the InChIKey of (1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol?

The InChIKey is KYJYUVDAAMMYDS-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-14(31)21-23-18(9-19(26-21)15-6-7-15)22(28-29-23)16-4-3-5-17(8-16)24(11-32-12-24)10-20-27-25-13-30(20)2/h3-5,8-9,13-15,31H,6-7,10-12H2,1-2H3,(H,28,29)/t14-/m0/s1.

What are the key properties of (1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol?

(1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol has a molecular weight of 430.51 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[5-cyclopropyl-3-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-7-yl]ethanol is sourced from PubChem (CID 171503297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).