3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol

C24H26FN7O2 — CID 134440044

IUPAC3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol
SMILESCCc1c(Nc2cc(-n3nc(C)c(C4(O)COC4)c3C)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H26FN7O2/c1-5-18-22(16-6-8-17(25)9-7-16)31(4)30-23(18)28-19-10-20(27-13-26-19)32-15(3)21(14(2)29-32)24(33)11-34-12-24/h6-10,13,33H,5,11-12H2,1-4H3,(H,26,27,28,30)
InChIKeyIFWFLQOKEBZJTN-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.34
Rot. Bonds6

About 3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol

3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol (PubChem CID 134440044) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol.

Molecular Properties

Compound Name3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol
PubChem CID134440044
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Name3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol
SMILESCCc1c(Nc2cc(-n3nc(C)c(C4(O)COC4)c3C)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H26FN7O2/c1-5-18-22(16-6-8-17(25)9-7-16)31(4)30-23(18)28-19-10-20(27-13-26-19)32-15(3)21(14(2)29-32)24(33)11-34-12-24/h6-10,13,33H,5,11-12H2,1-4H3,(H,26,27,28,30)
InChIKeyIFWFLQOKEBZJTN-UHFFFAOYSA-N
XLogP3.34
TPSA102.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol with MolForge

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Related Compounds

US20230339900, Example 94
CID 162760935
1-[1-[6-[[2-(Cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-2,2,2-trifluoroethanol
CID 134439832
6-(3,5-dimethylpyrazol-1-yl)-N-[4-ethyl-3-(4-fluorophenyl)-1-(2-phenylmethoxyethyl)pyrazol-5-yl]pyrimidin-4-amine
CID 134439943
[1-[6-[[4-Ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]methanol
CID 134439968
1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,4-dimethyl-6,7-dihydro-5H-indazol-4-ol
CID 134440013
2-[1-[6-[[4-Chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
CID 134440025
2-[4-Chloro-1-[6-[[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3-methylpyrazol-5-yl]propan-2-ol
CID 134440060
1-[1-[6-[[5-(4-Fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]cyclopropan-1-ol
CID 134440080
1-[1-[6-[[1-(Cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 134440084
1-[6-[[4-Ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,4-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol
CID 134440093
2-[1-[6-[[1-(Cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
CID 134440101
2-[2-[6-[[4-Ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propan-2-ol
CID 134440121

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol?
The IUPAC name of 3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol (CID 134440044) is 3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol.
What is the SMILES notation for 3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol?
The canonical SMILES for 3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol is CCc1c(Nc2cc(-n3nc(C)c(C4(O)COC4)c3C)ncn2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of 3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol?
The InChIKey is IFWFLQOKEBZJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-5-18-22(16-6-8-17(25)9-7-16)31(4)30-23(18)28-19-10-20(27-13-26-19)32-15(3)21(14(2)29-32)24(33)11-34-12-24/h6-10,13,33H,5,11-12H2,1-4H3,(H,26,27,28,30).
What are the key properties of 3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol?
3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol has a molecular weight of 463.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]oxetan-3-ol is sourced from PubChem (CID 134440044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).