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

C24H26FN7O — CID 134440093

IUPAC1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,4-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol
SMILESCCc1c(Nc2cc(-n3nc(C)c4c3CCC4(C)O)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H26FN7O/c1-5-17-22(15-6-8-16(25)9-7-15)31(4)30-23(17)28-19-12-20(27-13-26-19)32-18-10-11-24(3,33)21(18)14(2)29-32/h6-9,12-13,33H,5,10-11H2,1-4H3,(H,26,27,28,30)
InChIKeyNVEUIOQDRKKAOO-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.97
Rot. Bonds5

About 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

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 (PubChem CID 134440093) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,4-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol
PubChem CID134440093
Molecular FormulaC24H26FN7O
Molecular Weight447.52 g/mol
Exact Mass447.22
IUPAC Name1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,4-dimethyl-5,6-dihydrocyclopenta[d]pyrazol-4-ol
SMILESCCc1c(Nc2cc(-n3nc(C)c4c3CCC4(C)O)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H26FN7O/c1-5-17-22(15-6-8-16(25)9-7-15)31(4)30-23(17)28-19-12-20(27-13-26-19)32-18-10-11-24(3,33)21(18)14(2)29-32/h6-9,12-13,33H,5,10-11H2,1-4H3,(H,26,27,28,30)
InChIKeyNVEUIOQDRKKAOO-UHFFFAOYSA-N
XLogP3.97
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
[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
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
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
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
2-[4-Chloro-1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-methylpyrazol-5-yl]propan-2-ol
CID 134440139
2-[1-[6-[[2-(Cyclopropylmethyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
CID 134440154

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1c(Nc2cc(-n3nc(C)c4c3CCC4(C)O)ncn2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of 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?
The InChIKey is NVEUIOQDRKKAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O/c1-5-17-22(15-6-8-16(25)9-7-15)31(4)30-23(17)28-19-12-20(27-13-26-19)32-18-10-11-24(3,33)21(18)14(2)29-32/h6-9,12-13,33H,5,10-11H2,1-4H3,(H,26,27,28,30).
What are the key properties of 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?
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 has a molecular weight of 447.52 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134440093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).