6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine

C21H23FN8O — CID 134440488

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine
SMILESCOCCn1nc(-c2ccc(F)cn2)c(C)c1Nc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C21H23FN8O/c1-13-9-14(2)30(27-13)19-10-18(24-12-25-19)26-21-15(3)20(28-29(21)7-8-31-4)17-6-5-16(22)11-23-17/h5-6,9-12H,7-8H2,1-4H3,(H,24,25,26)
InChIKeySVMSTQVZAIQTAN-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.38
Rot. Bonds7

About 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine

6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine (PubChem CID 134440488) has the molecular formula C21H23FN8O and a molecular weight of 422.47 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine
PubChem CID134440488
Molecular FormulaC21H23FN8O
Molecular Weight422.47 g/mol
Exact Mass422.20
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine
SMILESCOCCn1nc(-c2ccc(F)cn2)c(C)c1Nc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C21H23FN8O/c1-13-9-14(2)30(27-13)19-10-18(24-12-25-19)26-21-15(3)20(28-29(21)7-8-31-4)17-6-5-16(22)11-23-17/h5-6,9-12H,7-8H2,1-4H3,(H,24,25,26)
InChIKeySVMSTQVZAIQTAN-UHFFFAOYSA-N
XLogP3.38
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 134440781
2-[1-[6-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
CID 134440309
4-[[1-(cyclopropylmethyl)-3-(5-fluoro-2-pyridinyl)-4-methylpyrazol-5-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 158991774
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
4-[1-(2-cyclopropylethyl)-5-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-4-methylpyrazol-3-yl]benzonitrile
CID 134440128
N-[4-chloro-3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 142754035
N-[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134440399
N-[4-chloro-3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 134440238
6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 50830713
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
CID 134439990
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 155975164
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-5-(4-fluorophenyl)-1-methylpyrazole-4-carbonitrile
CID 134440765

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine (CID 134440488) is 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine is COCCn1nc(-c2ccc(F)cn2)c(C)c1Nc1cc(-n2nc(C)cc2C)ncn1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine?
The InChIKey is SVMSTQVZAIQTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN8O/c1-13-9-14(2)30(27-13)19-10-18(24-12-25-19)26-21-15(3)20(28-29(21)7-8-31-4)17-6-5-16(22)11-23-17/h5-6,9-12H,7-8H2,1-4H3,(H,24,25,26).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine has a molecular weight of 422.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 134440488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).