N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide

C25H20N6O2 — CID 122311638

IUPACN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4ccc5ccccc5n4)cc3)ncn2)n1
InChIInChI=1S/C25H20N6O2/c1-16-13-17(2)31(30-16)23-14-24(27-15-26-23)33-20-10-8-19(9-11-20)28-25(32)22-12-7-18-5-3-4-6-21(18)29-22/h3-15H,1-2H3,(H,28,32)
InChIKeyDBQNXTLXFKSRGF-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.87
Rot. Bonds5

About N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide

N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide (PubChem CID 122311638) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide
PubChem CID122311638
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC NameN-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide
SMILESCc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4ccc5ccccc5n4)cc3)ncn2)n1
InChIInChI=1S/C25H20N6O2/c1-16-13-17(2)31(30-16)23-14-24(27-15-26-23)33-20-10-8-19(9-11-20)28-25(32)22-12-7-18-5-3-4-6-21(18)29-22/h3-15H,1-2H3,(H,28,32)
InChIKeyDBQNXTLXFKSRGF-UHFFFAOYSA-N
XLogP4.87
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-bromo-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311816
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1,2-oxazole-5-carboxamide
CID 122311628
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,3-dimethoxybenzamide
CID 122311480
2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311512
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122311814
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]quinoline-2-carboxamide
CID 122307057
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine
CID 850309
2-methyl-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311091
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122305588
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122311682
N-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]oxyphenyl]-2-phenoxybenzamide
CID 122310503
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3,4-dimethoxybenzamide
CID 122305386

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide?
The IUPAC name of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide (CID 122311638) is N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide is Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4ccc5ccccc5n4)cc3)ncn2)n1.
What is the InChIKey of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide?
The InChIKey is DBQNXTLXFKSRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-16-13-17(2)31(30-16)23-14-24(27-15-26-23)33-20-10-8-19(9-11-20)28-25(32)22-12-7-18-5-3-4-6-21(18)29-22/h3-15H,1-2H3,(H,28,32).
What are the key properties of N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide?
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]quinoline-2-carboxamide is sourced from PubChem (CID 122311638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).