ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate

C24H26FN7O2 — CID 134440675

IUPACethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2cc(Nc3c(CC)c(-c4ccc(F)cc4)nn3C)ncn2)c1C
InChIInChI=1S/C24H26FN7O2/c1-6-18-22(16-8-10-17(25)11-9-16)30-31(5)23(18)28-19-12-20(27-13-26-19)32-15(4)21(14(3)29-32)24(33)34-7-2/h8-13H,6-7H2,1-5H3,(H,26,27,28)
InChIKeyRQNPHIWDKABADS-UHFFFAOYSA-N
MW463.52 g/mol
LogP4.30
Rot. Bonds7

About ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate

ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate (PubChem CID 134440675) has the molecular formula C24H26FN7O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
PubChem CID134440675
Molecular FormulaC24H26FN7O2
Molecular Weight463.52 g/mol
Exact Mass463.21
IUPAC Nameethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2cc(Nc3c(CC)c(-c4ccc(F)cc4)nn3C)ncn2)c1C
InChIInChI=1S/C24H26FN7O2/c1-6-18-22(16-8-10-17(25)11-9-16)30-31(5)23(18)28-19-12-20(27-13-26-19)32-15(4)21(14(3)29-32)24(33)34-7-2/h8-13H,6-7H2,1-5H3,(H,26,27,28)
InChIKeyRQNPHIWDKABADS-UHFFFAOYSA-N
XLogP4.30
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

5-[2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67774601
Ethyl 7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 679547
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
isopropyl 1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylate
CID 57377632
ethyl 1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylate
CID 57377633
methyl 1-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylate
CID 57378953
Ethyl 5-amino-1-(6-benzyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
CID 1988334
US10550102, Example 19b
CID 118627936
US10829492, Example 1
CID 134480271
US10829492, Example 5
CID 134480294
US10829492, Example 35
CID 134480308
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(phenethylamino)pyrimidine-5-carboxylate
CID 663159

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate (CID 134440675) is ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(-c2cc(Nc3c(CC)c(-c4ccc(F)cc4)nn3C)ncn2)c1C.
What is the InChIKey of ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate?
The InChIKey is RQNPHIWDKABADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2/c1-6-18-22(16-8-10-17(25)11-9-16)30-31(5)23(18)28-19-12-20(27-13-26-19)32-15(4)21(14(3)29-32)24(33)34-7-2/h8-13H,6-7H2,1-5H3,(H,26,27,28).
What are the key properties of ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate?
ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate has a molecular weight of 463.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 134440675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).