N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide

C31H24N6O4 — CID 59598432

IUPACN-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cccnc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
InChIInChI=1S/C31H24N6O4/c1-36-29(20-7-6-15-32-18-20)28(31(39)37(36)21-8-4-3-5-9-21)30(38)35-27-13-11-23(19-34-27)41-26-14-16-33-25-17-22(40-2)10-12-24(25)26/h3-19H,1-2H3,(H,34,35,38)
InChIKeyAIDASDNWZFQVSE-UHFFFAOYSA-N
MW544.57 g/mol
LogP5.23
Rot. Bonds7

About N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide

N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 59598432) has the molecular formula C31H24N6O4 and a molecular weight of 544.57 g/mol. Its IUPAC name is N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID59598432
Molecular FormulaC31H24N6O4
Molecular Weight544.57 g/mol
Exact Mass544.19
IUPAC NameN-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cccnc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
InChIInChI=1S/C31H24N6O4/c1-36-29(20-7-6-15-32-18-20)28(31(39)37(36)21-8-4-3-5-9-21)30(38)35-27-13-11-23(19-34-27)41-26-14-16-33-25-17-22(40-2)10-12-24(25)26/h3-19H,1-2H3,(H,34,35,38)
InChIKeyAIDASDNWZFQVSE-UHFFFAOYSA-N
XLogP5.23
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.57
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide (CID 59598432) is N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide is COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5cccnc5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1.
What is the InChIKey of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is AIDASDNWZFQVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N6O4/c1-36-29(20-7-6-15-32-18-20)28(31(39)37(36)21-8-4-3-5-9-21)30(38)35-27-13-11-23(19-34-27)41-26-14-16-33-25-17-22(40-2)10-12-24(25)26/h3-19H,1-2H3,(H,34,35,38).
What are the key properties of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide?
N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 544.57 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 59598432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).