6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine

C24H24FN9O2 — CID 146396500

IUPAC6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine
SMILESCCn1nc(-c2ccc(F)cc2)c(OC)c1Nc1cc(-n2nc(C)c(-c3nnc(C)o3)c2C)ncn1
InChIInChI=1S/C24H24FN9O2/c1-6-33-23(22(35-5)21(32-33)16-7-9-17(25)10-8-16)28-18-11-19(27-12-26-18)34-14(3)20(13(2)31-34)24-30-29-15(4)36-24/h7-12H,6H2,1-5H3,(H,26,27,28)
InChIKeyRFSDFEHYYHTCCQ-UHFFFAOYSA-N
MW489.52 g/mol
LogP4.41
Rot. Bonds7

About 6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine

6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine (PubChem CID 146396500) has the molecular formula C24H24FN9O2 and a molecular weight of 489.52 g/mol. Its IUPAC name is 6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine
PubChem CID146396500
Molecular FormulaC24H24FN9O2
Molecular Weight489.52 g/mol
Exact Mass489.20
IUPAC Name6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine
SMILESCCn1nc(-c2ccc(F)cc2)c(OC)c1Nc1cc(-n2nc(C)c(-c3nnc(C)o3)c2C)ncn1
InChIInChI=1S/C24H24FN9O2/c1-6-33-23(22(35-5)21(32-33)16-7-9-17(25)10-8-16)28-18-11-19(27-12-26-18)34-14(3)20(13(2)31-34)24-30-29-15(4)36-24/h7-12H,6H2,1-5H3,(H,26,27,28)
InChIKeyRFSDFEHYYHTCCQ-UHFFFAOYSA-N
XLogP4.41
TPSA121.60 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.52
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine with MolForge

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Related Compounds

6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine
CID 134440827
6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-(2,2-difluoroethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]pyrimidin-4-amine
CID 134440052
4-[5-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-(cyclopropylmethyl)-4-methylpyrazol-3-yl]benzonitrile
CID 142754055
ethyl 1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 134440867
2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
CID 134440886
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 134440106
1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide
CID 134440541
N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-[3,5-dimethyl-4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 134440477
ethyl 1-[6-[[1-(cyclopropylmethyl)-4-ethyl-3-[4-(methylamino)phenyl]pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 134440456
1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide
CID 142754166
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-4-methyl-3-(6-methyl-3-pyridinyl)pyrazol-5-yl]pyrimidin-4-amine
CID 134440835
N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 142754035

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine?
The IUPAC name of 6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine (CID 146396500) is 6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine is CCn1nc(-c2ccc(F)cc2)c(OC)c1Nc1cc(-n2nc(C)c(-c3nnc(C)o3)c2C)ncn1.
What is the InChIKey of 6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine?
The InChIKey is RFSDFEHYYHTCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9O2/c1-6-33-23(22(35-5)21(32-33)16-7-9-17(25)10-8-16)28-18-11-19(27-12-26-18)34-14(3)20(13(2)31-34)24-30-29-15(4)36-24/h7-12H,6H2,1-5H3,(H,26,27,28).
What are the key properties of 6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine?
6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine has a molecular weight of 489.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[1-ethyl-3-(4-fluorophenyl)-4-methoxypyrazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 146396500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).