6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C32H32N8O3 — CID 23635260

About 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 23635260) has the molecular formula C32H32N8O3 and a molecular weight of 576.66 g/mol. Its IUPAC name is 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

• Compound Name: 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
• PubChem CID: 23635260
• Molecular Formula: C32H32N8O3
• Molecular Weight: 576.66 g/mol
• Exact Mass: 576.26
• IUPAC Name: 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
• SMILES: COc1ccc(-n2nc(Cn3ncnn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1
• InChI: InChI=1S/C32H32N8O3/c1-43-27-12-10-25(11-13-27)40-31-29(30(35-40)20-39-34-21-33-36-39)15-17-38(32(31)42)24-8-6-22(7-9-24)28-5-3-2-4-23(28)18-37-16-14-26(41)19-37/h2-13,21,26,41H,14-20H2,1H3/t26-/m1/s1
• InChIKey: UAIGJMNMKWFEGL-AREMUKBSSA-N
• XLogP: 3.35
• TPSA: 114.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.66
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?

The IUPAC name of 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 23635260) is 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

What is the SMILES notation for 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?

The canonical SMILES for 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is COc1ccc(-n2nc(Cn3ncnn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1.

What is the InChIKey of 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?

The InChIKey is UAIGJMNMKWFEGL-AREMUKBSSA-N. The full InChI is InChI=1S/C32H32N8O3/c1-43-27-12-10-25(11-13-27)40-31-29(30(35-40)20-39-34-21-33-36-39)15-17-38(32(31)42)24-8-6-22(7-9-24)28-5-3-2-4-23(28)18-37-16-14-26(41)19-37/h2-13,21,26,41H,14-20H2,1H3/t26-/m1/s1.

What are the key properties of 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?

6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 576.66 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-3-(tetrazol-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 23635260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).