4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

C17H18FN7O — CID 165112373

IUPAC4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCc1cccc(F)c1Nc1nc(Nc2cnn(C)c2)ncc1C(N)=O
InChIInChI=1S/C17H18FN7O/c1-3-10-5-4-6-13(18)14(10)23-16-12(15(19)26)8-20-17(24-16)22-11-7-21-25(2)9-11/h4-9H,3H2,1-2H3,(H2,19,26)(H2,20,22,23,24)
InChIKeyJYQWFGXKWAXOIK-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.50
Rot. Bonds6

About 4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 165112373) has the molecular formula C17H18FN7O and a molecular weight of 355.38 g/mol. Its IUPAC name is 4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID165112373
Molecular FormulaC17H18FN7O
Molecular Weight355.38 g/mol
Exact Mass355.16
IUPAC Name4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCc1cccc(F)c1Nc1nc(Nc2cnn(C)c2)ncc1C(N)=O
InChIInChI=1S/C17H18FN7O/c1-3-10-5-4-6-13(18)14(10)23-16-12(15(19)26)8-20-17(24-16)22-11-7-21-25(2)9-11/h4-9H,3H2,1-2H3,(H2,19,26)(H2,20,22,23,24)
InChIKeyJYQWFGXKWAXOIK-UHFFFAOYSA-N
XLogP2.50
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

P505-15
CID 44462758
7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2777692
Imanixil
CID 216289
CU-CPT-8m
CID 15042086
N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide
CID 90216982
Tyk2-IN-2
CID 129626433
1-(4-((1H-pyrazol-1-yl)methyl)benzyl)-N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1H-imidazole-4-carboxamide
CID 56836188
5-amino-N-[3-(2,5-dimethylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063100
N-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-methylamino]methyl]phenyl]prop-2-enamide
CID 118475617
N-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475621
N-[4-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475626

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (CID 165112373) is 4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is CCc1cccc(F)c1Nc1nc(Nc2cnn(C)c2)ncc1C(N)=O.
What is the InChIKey of 4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is JYQWFGXKWAXOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O/c1-3-10-5-4-6-13(18)14(10)23-16-12(15(19)26)8-20-17(24-16)22-11-7-21-25(2)9-11/h4-9H,3H2,1-2H3,(H2,19,26)(H2,20,22,23,24).
What are the key properties of 4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 355.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-6-fluoroanilino)-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 165112373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).