N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C34H32ClF2N5O7 — CID 151434188

About N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 151434188) has the molecular formula C34H32ClF2N5O7 and a molecular weight of 696.11 g/mol. Its IUPAC name is N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 151434188
• Molecular Formula: C34H32ClF2N5O7
• Molecular Weight: 696.11 g/mol
• Exact Mass: 695.20
• IUPAC Name: N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COCCOc1cc2ncnc(Oc3ccc(NC(=O)c4c5n(n(-c6cc(F)ccc6F)c4=O)CCCC5)cc3Cl)c2cc1OCCOC
• InChI: InChI=1S/C34H32ClF2N5O7/c1-45-11-13-47-29-17-22-25(18-30(29)48-14-12-46-2)38-19-39-33(22)49-28-9-7-21(16-23(28)35)40-32(43)31-26-5-3-4-10-41(26)42(34(31)44)27-15-20(36)6-8-24(27)37/h6-9,15-19H,3-5,10-14H2,1-2H3,(H,40,43)
• InChIKey: PDDLKJVEVZQHOL-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 127.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	696.11
LogP ≤ 5	5.95
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 N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 151434188) is N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is COCCOc1cc2ncnc(Oc3ccc(NC(=O)c4c5n(n(-c6cc(F)ccc6F)c4=O)CCCC5)cc3Cl)c2cc1OCCOC.

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

The InChIKey is PDDLKJVEVZQHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClF2N5O7/c1-45-11-13-47-29-17-22-25(18-30(29)48-14-12-46-2)38-19-39-33(22)49-28-9-7-21(16-23(28)35)40-32(43)31-26-5-3-4-10-41(26)42(34(31)44)27-15-20(36)6-8-24(27)37/h6-9,15-19H,3-5,10-14H2,1-2H3,(H,40,43).

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

N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 696.11 g/mol, XLogP of 5.95, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 151434188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).