N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide

C32H26N6O5 — CID 11963346

IUPACN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4c(-c5ccncc5)n(C)n(-c5ccccc5)c4=O)nc3)c2cc1OC
InChIInChI=1S/C32H26N6O5/c1-37-30(20-11-14-33-15-12-20)29(32(40)38(37)21-7-5-4-6-8-21)31(39)36-28-10-9-22(19-35-28)43-25-13-16-34-24-18-27(42-3)26(41-2)17-23(24)25/h4-19H,1-3H3,(H,35,36,39)
InChIKeyJZUVVTPSJAHDMJ-UHFFFAOYSA-N
MW574.60 g/mol
LogP5.24
Rot. Bonds8

About N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide

N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide (PubChem CID 11963346) has the molecular formula C32H26N6O5 and a molecular weight of 574.60 g/mol. Its IUPAC name is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide
PubChem CID11963346
Molecular FormulaC32H26N6O5
Molecular Weight574.60 g/mol
Exact Mass574.20
IUPAC NameN-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4c(-c5ccncc5)n(C)n(-c5ccccc5)c4=O)nc3)c2cc1OC
InChIInChI=1S/C32H26N6O5/c1-37-30(20-11-14-33-15-12-20)29(32(40)38(37)21-7-5-4-6-8-21)31(39)36-28-10-9-22(19-35-28)43-25-13-16-34-24-18-27(42-3)26(41-2)17-23(24)25/h4-19H,1-3H3,(H,35,36,39)
InChIKeyJZUVVTPSJAHDMJ-UHFFFAOYSA-N
XLogP5.24
TPSA122.39 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.60
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide (CID 11963346) is N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4c(-c5ccncc5)n(C)n(-c5ccccc5)c4=O)nc3)c2cc1OC.
What is the InChIKey of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide?
The InChIKey is JZUVVTPSJAHDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N6O5/c1-37-30(20-11-14-33-15-12-20)29(32(40)38(37)21-7-5-4-6-8-21)31(39)36-28-10-9-22(19-35-28)43-25-13-16-34-24-18-27(42-3)26(41-2)17-23(24)25/h4-19H,1-3H3,(H,35,36,39).
What are the key properties of N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide?
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide has a molecular weight of 574.60 g/mol, XLogP of 5.24, 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]-1-methyl-3-oxo-2-phenyl-5-pyridin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 11963346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).