2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol

C22H28N8O2 — CID 167359087

About 2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol

2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol (PubChem CID 167359087) has the molecular formula C22H28N8O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

• Compound Name: 2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol
• PubChem CID: 167359087
• Molecular Formula: C22H28N8O2
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.23
• IUPAC Name: 2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol
• SMILES: COc1ccc2c(c1)nc(N)n1nc([C@@H]3CCCN(c4cnn(C(C)(C)CO)c4)C3)nc21
• InChI: InChI=1S/C22H28N8O2/c1-22(2,13-31)29-12-15(10-24-29)28-8-4-5-14(11-28)19-26-20-17-7-6-16(32-3)9-18(17)25-21(23)30(20)27-19/h6-7,9-10,12,14,31H,4-5,8,11,13H2,1-3H3,(H2,23,25)/t14-/m1/s1
• InChIKey: IUFJUUMDGIJNJZ-CQSZACIVSA-N
• XLogP: 2.18
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol?

The IUPAC name of 2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol (CID 167359087) is 2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol.

What is the SMILES notation for 2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol?

The canonical SMILES for 2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol is COc1ccc2c(c1)nc(N)n1nc([C@@H]3CCCN(c4cnn(C(C)(C)CO)c4)C3)nc21.

What is the InChIKey of 2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol?

The InChIKey is IUFJUUMDGIJNJZ-CQSZACIVSA-N. The full InChI is InChI=1S/C22H28N8O2/c1-22(2,13-31)29-12-15(10-24-29)28-8-4-5-14(11-28)19-26-20-17-7-6-16(32-3)9-18(17)25-21(23)30(20)27-19/h6-7,9-10,12,14,31H,4-5,8,11,13H2,1-3H3,(H2,23,25)/t14-/m1/s1.

What are the key properties of 2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol?

2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol has a molecular weight of 436.52 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3R)-3-(5-amino-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 167359087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).