3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol

C24H32N8O2 — CID 167359163

About 3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol

3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol (PubChem CID 167359163) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol.

Molecular Properties

• Compound Name: 3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol
• PubChem CID: 167359163
• Molecular Formula: C24H32N8O2
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.26
• IUPAC Name: 3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol
• SMILES: CCC(O)(CC)Cn1cc(N2CCC[C@@H](c3nc4c5cccc(OC)c5nc(N)n4n3)C2)cn1
• InChI: InChI=1S/C24H32N8O2/c1-4-24(33,5-2)15-31-14-17(12-26-31)30-11-7-8-16(13-30)21-28-22-18-9-6-10-19(34-3)20(18)27-23(25)32(22)29-21/h6,9-10,12,14,16,33H,4-5,7-8,11,13,15H2,1-3H3,(H2,25,27)/t16-/m1/s1
• InChIKey: DGGZPSAQIPSNGE-MRXNPFEDSA-N
• XLogP: 3.00
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol?

The IUPAC name of 3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol (CID 167359163) is 3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol.

What is the SMILES notation for 3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol?

The canonical SMILES for 3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol is CCC(O)(CC)Cn1cc(N2CCC[C@@H](c3nc4c5cccc(OC)c5nc(N)n4n3)C2)cn1.

What is the InChIKey of 3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol?

The InChIKey is DGGZPSAQIPSNGE-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-4-24(33,5-2)15-31-14-17(12-26-31)30-11-7-8-16(13-30)21-28-22-18-9-6-10-19(34-3)20(18)27-23(25)32(22)29-21/h6,9-10,12,14,16,33H,4-5,7-8,11,13,15H2,1-3H3,(H2,25,27)/t16-/m1/s1.

What are the key properties of 3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol?

3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol has a molecular weight of 464.57 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol is sourced from PubChem (CID 167359163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).