N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C30H22FN5O4 — CID 154637961

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cc(-c5ccccc5)n5nccc5n4)cc3F)c2cc1OC
InChIInChI=1S/C30H22FN5O4/c1-38-27-15-20-22(17-28(27)39-2)32-12-10-25(20)40-26-9-8-19(14-21(26)31)34-30(37)23-16-24(18-6-4-3-5-7-18)36-29(35-23)11-13-33-36/h3-17H,1-2H3,(H,34,37)
InChIKeyQFWZNLFKGDWDNO-UHFFFAOYSA-N
MW535.54 g/mol
LogP6.15
Rot. Bonds7

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 154637961) has the molecular formula C30H22FN5O4 and a molecular weight of 535.54 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID154637961
Molecular FormulaC30H22FN5O4
Molecular Weight535.54 g/mol
Exact Mass535.17
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)c4cc(-c5ccccc5)n5nccc5n4)cc3F)c2cc1OC
InChIInChI=1S/C30H22FN5O4/c1-38-27-15-20-22(17-28(27)39-2)32-12-10-25(20)40-26-9-8-19(14-21(26)31)34-30(37)23-16-24(18-6-4-3-5-7-18)36-29(35-23)11-13-33-36/h3-17H,1-2H3,(H,34,37)
InChIKeyQFWZNLFKGDWDNO-UHFFFAOYSA-N
XLogP6.15
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.54
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 154637962
5-cyclopropyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-phenylpyrazole-3-carboxamide
CID 177251203
1-benzyl-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 177251200
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]carbamoyl]-2-indazol-1-ylacetamide
CID 11962495
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 56603407
4-bromo-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-methylpyrazole-3-carboxamide
CID 56847293
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]carbamoyl]-2-ethylbenzamide
CID 59864354
cis-(1R,2S)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3,3-dimethyl-2-N-naphthalen-1-ylcyclopropane-1,2-dicarboxamide
CID 178037610
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2,4-dioxo-3-phenyl-1-propan-2-ylpyrimidine-5-carboxamide
CID 71576566
N-[3-fluoro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-(2-methylphenyl)pyridine-2-carboxamide
CID 73355490
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 141362342

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 154637961) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cc(-c5ccccc5)n5nccc5n4)cc3F)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is QFWZNLFKGDWDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22FN5O4/c1-38-27-15-20-22(17-28(27)39-2)32-12-10-25(20)40-26-9-8-19(14-21(26)31)34-30(37)23-16-24(18-6-4-3-5-7-18)36-29(35-23)11-13-33-36/h3-17H,1-2H3,(H,34,37).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 535.54 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 154637961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).