4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C31H28FN5O6 — CID 175856715

IUPAC4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc2ncnc(Oc3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccc(F)cc4)cc3OC)c2cc1OC
InChIInChI=1S/C31H28FN5O6/c1-40-24-13-17(6-11-23(24)43-30-21-14-25(41-2)26(42-3)15-22(21)34-16-35-30)20-5-4-12-36-28(20)27(29(33)38)31(39)37(36)19-9-7-18(32)8-10-19/h6-11,13-16,20H,4-5,12H2,1-3H3,(H2,33,38)
InChIKeyQMMFLFOQTLXQSY-UHFFFAOYSA-N
MW585.59 g/mol
LogP4.56
Rot. Bonds8

About 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175856715) has the molecular formula C31H28FN5O6 and a molecular weight of 585.59 g/mol. Its IUPAC name is 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID175856715
Molecular FormulaC31H28FN5O6
Molecular Weight585.59 g/mol
Exact Mass585.20
IUPAC Name4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cc2ncnc(Oc3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccc(F)cc4)cc3OC)c2cc1OC
InChIInChI=1S/C31H28FN5O6/c1-40-24-13-17(6-11-23(24)43-30-21-14-25(41-2)26(42-3)15-22(21)34-16-35-30)20-5-4-12-36-28(20)27(29(33)38)31(39)37(36)19-9-7-18(32)8-10-19/h6-11,13-16,20H,4-5,12H2,1-3H3,(H2,33,38)
InChIKeyQMMFLFOQTLXQSY-UHFFFAOYSA-N
XLogP4.56
TPSA132.72 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-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-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 175856715) is 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is COc1cc2ncnc(Oc3ccc(C4CCCn5c4c(C(N)=O)c(=O)n5-c4ccc(F)cc4)cc3OC)c2cc1OC.
What is the InChIKey of 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is QMMFLFOQTLXQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN5O6/c1-40-24-13-17(6-11-23(24)43-30-21-14-25(41-2)26(42-3)15-22(21)34-16-35-30)20-5-4-12-36-28(20)27(29(33)38)31(39)37(36)19-9-7-18(32)8-10-19/h6-11,13-16,20H,4-5,12H2,1-3H3,(H2,33,38).
What are the key properties of 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?
4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 585.59 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]-1-(4-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175856715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).