1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol

C20H23N7O2 — CID 175628234

About 1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol

1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol (PubChem CID 175628234) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol.

Molecular Properties

• Compound Name: 1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol
• PubChem CID: 175628234
• Molecular Formula: C20H23N7O2
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.19
• IUPAC Name: 1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol
• SMILES: CC(Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1)C(O)N1CC(O)C1
• InChI: InChI=1S/C20H23N7O2/c1-11(20(29)26-8-13(28)9-26)7-27-10-15-18(25-27)14-3-2-12(16-4-5-22-24-16)6-17(14)23-19(15)21/h2-6,10-11,13,20,28-29H,7-9H2,1H3,(H2,21,23)(H,22,24)
• InChIKey: DMKIWTYEVWEZHN-UHFFFAOYSA-N
• XLogP: 1.19
• TPSA: 129.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol?

The IUPAC name of 1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol (CID 175628234) is 1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol.

What is the SMILES notation for 1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol?

The canonical SMILES for 1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol is CC(Cn1cc2c(N)nc3cc(-c4ccn[nH]4)ccc3c2n1)C(O)N1CC(O)C1.

What is the InChIKey of 1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol?

The InChIKey is DMKIWTYEVWEZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-11(20(29)26-8-13(28)9-26)7-27-10-15-18(25-27)14-3-2-12(16-4-5-22-24-16)6-17(14)23-19(15)21/h2-6,10-11,13,20,28-29H,7-9H2,1H3,(H2,21,23)(H,22,24).

What are the key properties of 1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol?

1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol has a molecular weight of 393.45 g/mol, XLogP of 1.19, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]-1-hydroxy-2-methylpropyl]azetidin-3-ol is sourced from PubChem (CID 175628234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).