2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide

C26H25N9O3 — CID 149304491

About 2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide

2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide (PubChem CID 149304491) has the molecular formula C26H25N9O3 and a molecular weight of 511.55 g/mol. Its IUPAC name is 2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide.

Molecular Properties

• Compound Name: 2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide
• PubChem CID: 149304491
• Molecular Formula: C26H25N9O3
• Molecular Weight: 511.55 g/mol
• Exact Mass: 511.21
• IUPAC Name: 2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide
• SMILES: CC(C)n1cnnc1-c1cccc(-n2cnc3cc(OCC(N)=O)c(-n4cnc(C5CC5)c4)cc3c2=O)n1
• InChI: InChI=1S/C26H25N9O3/c1-15(2)34-14-30-32-25(34)18-4-3-5-24(31-18)35-13-29-19-9-22(38-11-23(27)36)21(8-17(19)26(35)37)33-10-20(28-12-33)16-6-7-16/h3-5,8-10,12-16H,6-7,11H2,1-2H3,(H2,27,36)
• InChIKey: XXJYVVVYFNPRGM-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 148.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.55
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide?

The IUPAC name of 2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide (CID 149304491) is 2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide.

What is the SMILES notation for 2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide?

The canonical SMILES for 2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide is CC(C)n1cnnc1-c1cccc(-n2cnc3cc(OCC(N)=O)c(-n4cnc(C5CC5)c4)cc3c2=O)n1.

What is the InChIKey of 2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide?

The InChIKey is XXJYVVVYFNPRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9O3/c1-15(2)34-14-30-32-25(34)18-4-3-5-24(31-18)35-13-29-19-9-22(38-11-23(27)36)21(8-17(19)26(35)37)33-10-20(28-12-33)16-6-7-16/h3-5,8-10,12-16H,6-7,11H2,1-2H3,(H2,27,36).

What are the key properties of 2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide?

2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide has a molecular weight of 511.55 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-cyclopropylimidazol-1-yl)-4-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinazolin-7-yl]oxyacetamide is sourced from PubChem (CID 149304491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).