5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide

C28H24FN5O4 — CID 11963258

IUPAC5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)c4c(CN)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
InChIInChI=1S/C28H24FN5O4/c1-33-23(16-30)26(28(36)34(33)18-6-4-3-5-7-18)27(35)32-17-8-11-25(21(29)14-17)38-24-12-13-31-22-15-19(37-2)9-10-20(22)24/h3-15H,16,30H2,1-2H3,(H,32,35)
InChIKeyRYQBKVFFHMNFTM-UHFFFAOYSA-N
MW513.53 g/mol
LogP4.38
Rot. Bonds7

About 5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide

5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 11963258) has the molecular formula C28H24FN5O4 and a molecular weight of 513.53 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID11963258
Molecular FormulaC28H24FN5O4
Molecular Weight513.53 g/mol
Exact Mass513.18
IUPAC Name5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCOc1ccc2c(Oc3ccc(NC(=O)c4c(CN)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1
InChIInChI=1S/C28H24FN5O4/c1-33-23(16-30)26(28(36)34(33)18-6-4-3-5-7-18)27(35)32-17-8-11-25(21(29)14-17)38-24-12-13-31-22-15-19(37-2)9-10-20(22)24/h3-15H,16,30H2,1-2H3,(H,32,35)
InChIKeyRYQBKVFFHMNFTM-UHFFFAOYSA-N
XLogP4.38
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 11963258) is 5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide is COc1ccc2c(Oc3ccc(NC(=O)c4c(CN)n(C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1.
What is the InChIKey of 5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is RYQBKVFFHMNFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O4/c1-33-23(16-30)26(28(36)34(33)18-6-4-3-5-7-18)27(35)32-17-8-11-25(21(29)14-17)38-24-12-13-31-22-15-19(37-2)9-10-20(22)24/h3-15H,16,30H2,1-2H3,(H,32,35).
What are the key properties of 5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide?
5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 513.53 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-1-methyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 11963258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).