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

C34H34FN5O7 — CID 175088277

IUPAC4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOCCOc1cc2ncnc(Oc3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4)c(F)c3)c2cc1OCCOC
InChIInChI=1S/C34H34FN5O7/c1-43-13-15-45-28-18-25-27(19-29(28)46-16-14-44-2)37-20-38-33(25)47-22-10-11-23(26(35)17-22)24-9-6-12-39-31(24)30(32(36)41)34(42)40(39)21-7-4-3-5-8-21/h3-5,7-8,10-11,17-20,24H,6,9,12-16H2,1-2H3,(H2,36,41)
InChIKeyHVDLOUIATSQNOD-UHFFFAOYSA-N
MW643.67 g/mol
LogP4.59
Rot. Bonds13

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

4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175088277) has the molecular formula C34H34FN5O7 and a molecular weight of 643.67 g/mol. Its IUPAC name is 4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID175088277
Molecular FormulaC34H34FN5O7
Molecular Weight643.67 g/mol
Exact Mass643.24
IUPAC Name4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOCCOc1cc2ncnc(Oc3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4)c(F)c3)c2cc1OCCOC
InChIInChI=1S/C34H34FN5O7/c1-43-13-15-45-28-18-25-27(19-29(28)46-16-14-44-2)37-20-38-33(25)47-22-10-11-23(26(35)17-22)24-9-6-12-39-31(24)30(32(36)41)34(42)40(39)21-7-4-3-5-8-21/h3-5,7-8,10-11,17-20,24H,6,9,12-16H2,1-2H3,(H2,36,41)
InChIKeyHVDLOUIATSQNOD-UHFFFAOYSA-N
XLogP4.59
TPSA141.95 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.67
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 175088277) is 4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is COCCOc1cc2ncnc(Oc3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccccc4)c(F)c3)c2cc1OCCOC.
What is the InChIKey of 4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is HVDLOUIATSQNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN5O7/c1-43-13-15-45-28-18-25-27(19-29(28)46-16-14-44-2)37-20-38-33(25)47-22-10-11-23(26(35)17-22)24-9-6-12-39-31(24)30(32(36)41)34(42)40(39)21-7-4-3-5-8-21/h3-5,7-8,10-11,17-20,24H,6,9,12-16H2,1-2H3,(H2,36,41).
What are the key properties of 4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 643.67 g/mol, XLogP of 4.59, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-2-fluorophenyl]-2-oxo-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175088277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).