1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide

C24H27FN8O — CID 142754166

IUPAC1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide
SMILESCCc1c(Nc2cc(-n3nc(C)c(C(=O)N(C)C)c3C)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H27FN8O/c1-7-18-22(16-8-10-17(25)11-9-16)32(6)30-23(18)28-19-12-20(27-13-26-19)33-15(3)21(14(2)29-33)24(34)31(4)5/h8-13H,7H2,1-6H3,(H,26,27,28,30)
InChIKeyJRZCOHDIGITLTH-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.83
Rot. Bonds6

About 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide

1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide (PubChem CID 142754166) has the molecular formula C24H27FN8O and a molecular weight of 462.53 g/mol. Its IUPAC name is 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide
PubChem CID142754166
Molecular FormulaC24H27FN8O
Molecular Weight462.53 g/mol
Exact Mass462.23
IUPAC Name1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide
SMILESCCc1c(Nc2cc(-n3nc(C)c(C(=O)N(C)C)c3C)ncn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C24H27FN8O/c1-7-18-22(16-8-10-17(25)11-9-16)32(6)30-23(18)28-19-12-20(27-13-26-19)33-15(3)21(14(2)29-33)24(34)31(4)5/h8-13H,7H2,1-6H3,(H,26,27,28,30)
InChIKeyJRZCOHDIGITLTH-UHFFFAOYSA-N
XLogP3.83
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-(3-fluoroazetidin-1-yl)methanone
CID 134440464
[3-(difluoromethyl)pyrrolidin-1-yl]-[1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]methanone
CID 134440680
[1-[6-[[1-(2,2-difluoroethyl)-4-ethyl-5-(4-fluorophenyl)pyrazol-3-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-ethoxymethanol
CID 166894770
4-[3-[[6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidin-4-yl]amino]-4-ethyl-1-methylpyrazol-5-yl]benzonitrile
CID 134440310
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
2-[4-chloro-1-[6-[[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]amino]pyrimidin-4-yl]-3-methylpyrazol-5-yl]propan-2-ol
CID 134440841
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-5-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile
CID 134440765
6-[5-(1-fluoroethyl)-3-methylpyrazol-1-yl]-N-[5-(4-fluorophenyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine
CID 163700781
4-[3-[[6-[4-(2-hydroxypropan-2-yl)-3,5-dimethylpyrazol-1-yl]pyrimidin-4-yl]amino]-1,4-dimethylpyrazol-5-yl]benzonitrile
CID 134440349
ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 158985140
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-yl]pyrimidin-4-amine
CID 134440006
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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide?
The IUPAC name of 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide (CID 142754166) is 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide?
The canonical SMILES for 1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide is CCc1c(Nc2cc(-n3nc(C)c(C(=O)N(C)C)c3C)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]-N,N,3,5-tetramethylpyrazole-4-carboxamide?
The InChIKey is JRZCOHDIGITLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O/c1-7-18-22(16-8-10-17(25)11-9-16)32(6)30-23(18)28-19-12-20(27-13-26-19)33-15(3)21(14(2)29-33)24(34)31(4)5/h8-13H,7H2,1-6H3,(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]-N,N,3,5-tetramethylpyrazole-4-carboxamide?
1-[6-[[4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 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]-N,N,3,5-tetramethylpyrazole-4-carboxamide is sourced from PubChem (CID 142754166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).