5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide

C30H25FN4O4 — CID 177251203

IUPAC5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cc(C5CC5)n(-c5ccccc5)n4)cc3F)c2cc1OC
InChIInChI=1S/C30H25FN4O4/c1-37-28-15-21-23(17-29(28)38-2)32-13-12-26(21)39-27-11-10-19(14-22(27)31)33-30(36)24-16-25(18-8-9-18)35(34-24)20-6-4-3-5-7-20/h3-7,10-18H,8-9H2,1-2H3,(H,33,36)
InChIKeyGKRLXQXNEAHFOB-UHFFFAOYSA-N
MW524.55 g/mol
LogP6.50
Rot. Bonds8

About 5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide

5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 177251203) has the molecular formula C30H25FN4O4 and a molecular weight of 524.55 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide
PubChem CID177251203
Molecular FormulaC30H25FN4O4
Molecular Weight524.55 g/mol
Exact Mass524.19
IUPAC Name5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cc(C5CC5)n(-c5ccccc5)n4)cc3F)c2cc1OC
InChIInChI=1S/C30H25FN4O4/c1-37-28-15-21-23(17-29(28)38-2)32-13-12-26(21)39-27-11-10-19(14-22(27)31)33-30(36)24-16-25(18-8-9-18)35(34-24)20-6-4-3-5-7-20/h3-7,10-18H,8-9H2,1-2H3,(H,33,36)
InChIKeyGKRLXQXNEAHFOB-UHFFFAOYSA-N
XLogP6.50
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.55
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide
CID 166467976
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 154637961
N-[3-fluoro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-phenyltriazole-4-carboxamide
CID 127051406
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxo-3-phenyl-1-propan-2-ylpyrimidine-5-carboxamide
CID 71576566
4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide
CID 56847293
1,3-bis(cyclopropylmethyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxopyrimidine-5-carboxamide
CID 90452665
1-benzyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 177251200
N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 134148711
2-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyanilino]-2-oxoacetic acid
CID 66669350
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 141362342
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoroanilino]-N-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 139533579
N-[4-(6-bromo-7-methoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 70681644

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide (CID 177251203) is 5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cc(C5CC5)n(-c5ccccc5)n4)cc3F)c2cc1OC.
What is the InChIKey of 5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is GKRLXQXNEAHFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O4/c1-37-28-15-21-23(17-29(28)38-2)32-13-12-26(21)39-27-11-10-19(14-22(27)31)33-30(36)24-16-25(18-8-9-18)35(34-24)20-6-4-3-5-7-20/h3-7,10-18H,8-9H2,1-2H3,(H,33,36).
What are the key properties of 5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide?
5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 524.55 g/mol, XLogP of 6.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 177251203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).