5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

C22H26F3N7O3 — CID 163292014

IUPAC5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)CC(F)(F)F)on3)nc2)c(C(N)=O)c1N
InChIInChI=1S/C22H26F3N7O3/c1-11(2)32-19(26)17(20(27)34)18(30-32)12-5-6-13(28-9-12)7-16(33)29-15-8-14(35-31-15)21(3,4)10-22(23,24)25/h5-6,8-9,11H,7,10,26H2,1-4H3,(H2,27,34)(H,29,31,33)
InChIKeyGFVZZLMALHOTQF-UHFFFAOYSA-N
MW493.49 g/mol
LogP3.61
Rot. Bonds8

About 5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163292014) has the molecular formula C22H26F3N7O3 and a molecular weight of 493.49 g/mol. Its IUPAC name is 5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163292014
Molecular FormulaC22H26F3N7O3
Molecular Weight493.49 g/mol
Exact Mass493.20
IUPAC Name5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)CC(F)(F)F)on3)nc2)c(C(N)=O)c1N
InChIInChI=1S/C22H26F3N7O3/c1-11(2)32-19(26)17(20(27)34)18(30-32)12-5-6-13(28-9-12)7-16(33)29-15-8-14(35-31-15)21(3,4)10-22(23,24)25/h5-6,8-9,11H,7,10,26H2,1-4H3,(H2,27,34)(H,29,31,33)
InChIKeyGFVZZLMALHOTQF-UHFFFAOYSA-N
XLogP3.61
TPSA154.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(tert-butyl)-3-isoxazolyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811417
N-(5-tert-butyl-1,2-oxazol-3-yl)-4-methyl-3-[4-[5-(2,2,2-trifluoroethylamino)pyridin-3-yl]triazol-1-yl]benzamide
CID 53464655
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[5-(2,2-difluoroethylamino)pyridin-3-yl]triazol-1-yl]-4-methylbenzamide
CID 53464907
N-[1-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrazol-5-yl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide
CID 129192663
WO2022098970, Example 2
CID 163291922
WO2022098970, Example 306
CID 163291942
WO2022098970, Example 293
CID 163292128
WO2022098970, Example 321
CID 164607713
5-Amino-1-propan-2-yl-3-(5-pyridin-3-yl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 137642462
WO2022098970, Example 324
CID 164607714
WO2022098970, Example 303
CID 163291868
WO2022098970, Example 299
CID 163291897

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163292014) is 5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)CC(F)(F)F)on3)nc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is GFVZZLMALHOTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N7O3/c1-11(2)32-19(26)17(20(27)34)18(30-32)12-5-6-13(28-9-12)7-16(33)29-15-8-14(35-31-15)21(3,4)10-22(23,24)25/h5-6,8-9,11H,7,10,26H2,1-4H3,(H2,27,34)(H,29,31,33).
What are the key properties of 5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 493.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[6-[2-oxo-2-[[5-(4,4,4-trifluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163292014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).