4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C33H34N6O6 — CID 175087205

About 4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175087205) has the molecular formula C33H34N6O6 and a molecular weight of 610.67 g/mol. Its IUPAC name is 4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 175087205
• Molecular Formula: C33H34N6O6
• Molecular Weight: 610.67 g/mol
• Exact Mass: 610.25
• IUPAC Name: 4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COCCOc1cc2ncnc(-c3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4)nc3)c2cc1OCCOC
• InChI: InChI=1S/C33H34N6O6/c1-42-13-15-44-27-17-24-26(18-28(27)45-16-14-43-2)36-20-37-30(24)21-10-11-25(35-19-21)23-9-6-12-38-31(23)29(32(34)40)33(41)39(38)22-7-4-3-5-8-22/h3-5,7-8,10-11,17-20,23H,6,9,12-16H2,1-2H3,(H2,34,40)
• InChIKey: QYMHMZOSYZRNIU-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 145.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.67
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 175087205) is 4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is COCCOc1cc2ncnc(-c3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4)nc3)c2cc1OCCOC.

What is the InChIKey of 4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is QYMHMZOSYZRNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O6/c1-42-13-15-44-27-17-24-26(18-28(27)45-16-14-43-2)36-20-37-30(24)21-10-11-25(35-19-21)23-9-6-12-38-31(23)29(32(34)40)33(41)39(38)22-7-4-3-5-8-22/h3-5,7-8,10-11,17-20,23H,6,9,12-16H2,1-2H3,(H2,34,40).

What are the key properties of 4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 610.67 g/mol, XLogP of 3.72, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]-2-pyridinyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175087205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).