N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide

C30H24N6O4S — CID 11963389

IUPACN-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)c4c(-c5csc(C)n5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
InChIInChI=1S/C30H24N6O4S/c1-18-33-24(17-41-18)28-27(30(38)36(35(28)2)19-7-5-4-6-8-19)29(37)34-26-12-10-21(16-32-26)40-25-13-14-31-23-15-20(39-3)9-11-22(23)25/h4-17H,1-3H3,(H,32,34,37)
InChIKeyOSHPEWCCDRPGGK-UHFFFAOYSA-N
MW564.63 g/mol
LogP5.60
Rot. Bonds7

About N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide

N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 11963389) has the molecular formula C30H24N6O4S and a molecular weight of 564.63 g/mol. Its IUPAC name is N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID11963389
Molecular FormulaC30H24N6O4S
Molecular Weight564.63 g/mol
Exact Mass564.16
IUPAC NameN-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)c4c(-c5csc(C)n5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1
InChIInChI=1S/C30H24N6O4S/c1-18-33-24(17-41-18)28-27(30(38)36(35(28)2)19-7-5-4-6-8-19)29(37)34-26-12-10-21(16-32-26)40-25-13-14-31-23-15-20(39-3)9-11-22(23)25/h4-17H,1-3H3,(H,32,34,37)
InChIKeyOSHPEWCCDRPGGK-UHFFFAOYSA-N
XLogP5.60
TPSA113.16 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.63
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide (CID 11963389) is N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide is COc1ccc2c(Oc3ccc(NC(=O)c4c(-c5csc(C)n5)n(C)n(-c5ccccc5)c4=O)nc3)ccnc2c1.
What is the InChIKey of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is OSHPEWCCDRPGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O4S/c1-18-33-24(17-41-18)28-27(30(38)36(35(28)2)19-7-5-4-6-8-19)29(37)34-26-12-10-21(16-32-26)40-25-13-14-31-23-15-20(39-3)9-11-22(23)25/h4-17H,1-3H3,(H,32,34,37).
What are the key properties of N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide?
N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 564.63 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 11963389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).