4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine

C25H20N6O — CID 132534154

IUPAC4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine
SMILESCc1nn(-c2ccccc2)c(Oc2ccccc2)c1-c1cc(-c2ccccn2)nc(N)n1
InChIInChI=1S/C25H20N6O/c1-17-23(22-16-21(28-25(26)29-22)20-14-8-9-15-27-20)24(32-19-12-6-3-7-13-19)31(30-17)18-10-4-2-5-11-18/h2-16H,1H3,(H2,26,28,29)
InChIKeyGDPRQXZZKLWXBU-UHFFFAOYSA-N
MW420.48 g/mol
LogP5.07
Rot. Bonds5

About 4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine

4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine (PubChem CID 132534154) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is 4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine
PubChem CID132534154
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine
SMILESCc1nn(-c2ccccc2)c(Oc2ccccc2)c1-c1cc(-c2ccccn2)nc(N)n1
InChIInChI=1S/C25H20N6O/c1-17-23(22-16-21(28-25(26)29-22)20-14-8-9-15-27-20)24(32-19-12-6-3-7-13-19)31(30-17)18-10-4-2-5-11-18/h2-16H,1H3,(H2,26,28,29)
InChIKeyGDPRQXZZKLWXBU-UHFFFAOYSA-N
XLogP5.07
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 11165952
phenoxybenzene;2-pyridin-2-ylpyridine
CID 174917355
1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 82370915
2-(5-methoxy-3-methyl-1-propylpyrazol-4-yl)pyridine
CID 170977985
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894
CID 174005801
CID 174005801
[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methanol
CID 39096917
2-(2,5-diphenyl-1,2,4-triazol-3-yl)pyridine
CID 102454692
4-methyl-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59651145
4-(4-benzyl-3,5-dimethylpyrazol-1-yl)-6-pyridin-2-yl-1,3,5-triazin-2-amine
CID 22174870
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine (CID 132534154) is 4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine is Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1-c1cc(-c2ccccn2)nc(N)n1.
What is the InChIKey of 4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is GDPRQXZZKLWXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c1-17-23(22-16-21(28-25(26)29-22)20-14-8-9-15-27-20)24(32-19-12-6-3-7-13-19)31(30-17)18-10-4-2-5-11-18/h2-16H,1H3,(H2,26,28,29).
What are the key properties of 4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine?
4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 420.48 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 132534154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).