N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane

C27H31N5O6 — CID 145169594

IUPACN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane
SMILESCCOC.COc1cc2nccc(Oc3ccc(NC(=O)c4ccnn4C4CCOC4)nc3)c2cc1OC
InChIInChI=1S/C24H23N5O5.C3H8O/c1-31-21-11-17-18(12-22(21)32-2)25-8-6-20(17)34-16-3-4-23(26-13-16)28-24(30)19-5-9-27-29(19)15-7-10-33-14-15;1-3-4-2/h3-6,8-9,11-13,15H,7,10,14H2,1-2H3,(H,26,28,30);3H2,1-2H3
InChIKeyBQTZYQYABZDLRW-UHFFFAOYSA-N
MW521.57 g/mol
LogP4.50
Rot. Bonds8

About N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane (PubChem CID 145169594) has the molecular formula C27H31N5O6 and a molecular weight of 521.57 g/mol. Its IUPAC name is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane.

Molecular Properties

Compound NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane
PubChem CID145169594
Molecular FormulaC27H31N5O6
Molecular Weight521.57 g/mol
Exact Mass521.23
IUPAC NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane
SMILESCCOC.COc1cc2nccc(Oc3ccc(NC(=O)c4ccnn4C4CCOC4)nc3)c2cc1OC
InChIInChI=1S/C24H23N5O5.C3H8O/c1-31-21-11-17-18(12-22(21)32-2)25-8-6-20(17)34-16-3-4-23(26-13-16)28-24(30)19-5-9-27-29(19)15-7-10-33-14-15;1-3-4-2/h3-6,8-9,11-13,15H,7,10,14H2,1-2H3,(H,26,28,30);3H2,1-2H3
InChIKeyBQTZYQYABZDLRW-UHFFFAOYSA-N
XLogP4.50
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane with MolForge

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Related Compounds

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-ethylpyrazole-5-carboxamide
CID 122633132
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-5-(4-fluorophenyl)-1-(oxan-4-yl)-4-oxopyridine-3-carboxamide
CID 139336947
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(1,3-oxazol-2-yl)pyrazole-3-carboxamide
CID 122633080
1-(4-cyclopropylpyrimidin-5-yl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 134392159
1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122633118
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(6-methoxy-4,5-dihydropyrimidin-5-yl)pyrazole-3-carboxamide
CID 146575392
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-3-ethoxy-1-pyridin-3-ylpyrazole-4-carboxamide
CID 122632980
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(3-methylimidazol-4-yl)pyrazole-3-carboxamide
CID 134392113
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-[4-[(dimethylamino)methyl]-3-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122632984
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122632993
1-[4-chloro-3-[(dimethylamino)methyl]phenyl]-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122632979
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 122632949

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane?
The IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane (CID 145169594) is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane.
What is the SMILES notation for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane?
The canonical SMILES for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane is CCOC.COc1cc2nccc(Oc3ccc(NC(=O)c4ccnn4C4CCOC4)nc3)c2cc1OC.
What is the InChIKey of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane?
The InChIKey is BQTZYQYABZDLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5.C3H8O/c1-31-21-11-17-18(12-22(21)32-2)25-8-6-20(17)34-16-3-4-23(26-13-16)28-24(30)19-5-9-27-29(19)15-7-10-33-14-15;1-3-4-2/h3-6,8-9,11-13,15H,7,10,14H2,1-2H3,(H,26,28,30);3H2,1-2H3.
What are the key properties of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane?
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane has a molecular weight of 521.57 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-2-(oxolan-3-yl)pyrazole-3-carboxamide;methoxyethane is sourced from PubChem (CID 145169594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).