5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide

C21H22FN5O4S — CID 55914939

IUPAC5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cnn1-c1ccccn1
InChIInChI=1S/C21H22FN5O4S/c1-2-18-16(14-24-27(18)20-5-3-4-8-23-20)21(28)25-15-6-7-17(22)19(13-15)32(29,30)26-9-11-31-12-10-26/h3-8,13-14H,2,9-12H2,1H3,(H,25,28)
InChIKeyIKTCEBAKVQLZLA-UHFFFAOYSA-N
MW459.50 g/mol
LogP2.24
Rot. Bonds6

About 5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide

5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 55914939) has the molecular formula C21H22FN5O4S and a molecular weight of 459.50 g/mol. Its IUPAC name is 5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID55914939
Molecular FormulaC21H22FN5O4S
Molecular Weight459.50 g/mol
Exact Mass459.14
IUPAC Name5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cnn1-c1ccccn1
InChIInChI=1S/C21H22FN5O4S/c1-2-18-16(14-24-27(18)20-5-3-4-8-23-20)21(28)25-15-6-7-17(22)19(13-15)32(29,30)26-9-11-31-12-10-26/h3-8,13-14H,2,9-12H2,1H3,(H,25,28)
InChIKeyIKTCEBAKVQLZLA-UHFFFAOYSA-N
XLogP2.24
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55645447
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
5-ethyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55827653
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide
CID 75400675
5-ethyl-1-pyridin-2-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 55604055
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38332153
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 26206760
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
CID 3363569
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
CID 55341413
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide (CID 55914939) is 5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cnn1-c1ccccn1.
What is the InChIKey of 5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is IKTCEBAKVQLZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O4S/c1-2-18-16(14-24-27(18)20-5-3-4-8-23-20)21(28)25-15-6-7-17(22)19(13-15)32(29,30)26-9-11-31-12-10-26/h3-8,13-14H,2,9-12H2,1H3,(H,25,28).
What are the key properties of 5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55914939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).