[(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol

C₁₈H₂₂N₆O₂ — CID 168839098

About [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol

[(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol (PubChem CID 168839098) has the molecular formula C₁₈H₂₂N₆O₂ and a molecular weight of 354.41 g/mol. Its IUPAC name is [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

• Compound Name: [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol
• PubChem CID: 168839098
• Molecular Formula: C₁₈H₂₂N₆O₂
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.18
• IUPAC Name: [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol
• SMILES: COc1ccccc1Cn1cc2nc(N)nc(N3CC[C@@H](CO)C3)c2n1
• InChI: InChI=1S/C18H22N6O2/c1-26-15-5-3-2-4-13(15)9-24-10-14-16(22-24)17(21-18(19)20-14)23-7-6-12(8-23)11-25/h2-5,10,12,25H,6-9,11H2,1H3,(H2,19,20)/t12-/m1/s1
• InChIKey: VOKFRHZUPNHZJD-GFCCVEGCSA-N
• XLogP: 1.28
• TPSA: 102.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol?

The IUPAC name of [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol (CID 168839098) is [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol.

What is the SMILES notation for [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol?

The canonical SMILES for [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol is COc1ccccc1Cn1cc2nc(N)nc(N3CC[C@@H](CO)C3)c2n1.

What is the InChIKey of [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol?

The InChIKey is VOKFRHZUPNHZJD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-26-15-5-3-2-4-13(15)9-24-10-14-16(22-24)17(21-18(19)20-14)23-7-6-12(8-23)11-25/h2-5,10,12,25H,6-9,11H2,1H3,(H2,19,20)/t12-/m1/s1.

What are the key properties of [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol?

[(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol has a molecular weight of 354.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-1-[5-amino-2-[(2-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 168839098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168839098 — identifiers, structure, computed properties (public domain)

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