5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide

C19H13BrN6O2 — CID 122309753

IUPAC5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1)c1cncc(Br)c1
InChIInChI=1S/C19H13BrN6O2/c20-14-8-13(10-21-11-14)19(27)25-15-2-4-16(5-3-15)28-18-9-17(22-12-23-18)26-7-1-6-24-26/h1-12H,(H,25,27)
InChIKeyKFPIGHIEHAKRSS-UHFFFAOYSA-N
MW437.26 g/mol
LogP3.86
Rot. Bonds5

About 5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide

5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide (PubChem CID 122309753) has the molecular formula C19H13BrN6O2 and a molecular weight of 437.26 g/mol. Its IUPAC name is 5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide
PubChem CID122309753
Molecular FormulaC19H13BrN6O2
Molecular Weight437.26 g/mol
Exact Mass436.03
IUPAC Name5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1)c1cncc(Br)c1
InChIInChI=1S/C19H13BrN6O2/c20-14-8-13(10-21-11-14)19(27)25-15-2-4-16(5-3-15)28-18-9-17(22-12-23-18)26-7-1-6-24-26/h1-12H,(H,25,27)
InChIKeyKFPIGHIEHAKRSS-UHFFFAOYSA-N
XLogP3.86
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.26
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309931
1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309674
3-fluoro-4-methyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309820
3-nitro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309934
2-chloro-6-fluoro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309602
1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122309727
5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide
CID 122306305
4-bromo-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122310307
1-(2-chlorophenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309662
1-(3-chloro-4-methylphenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309646
(E)-3-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]prop-2-enamide
CID 122309615
4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122309612

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide (CID 122309753) is 5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Oc2cc(-n3cccn3)ncn2)cc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide?
The InChIKey is KFPIGHIEHAKRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN6O2/c20-14-8-13(10-21-11-14)19(27)25-15-2-4-16(5-3-15)28-18-9-17(22-12-23-18)26-7-1-6-24-26/h1-12H,(H,25,27).
What are the key properties of 5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide?
5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide has a molecular weight of 437.26 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 122309753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).