5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide

C26H27F3N6O3 — CID 162485635

IUPAC5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCC(C(=O)Nc1cc(C23CC(C(F)(F)F)(C2)C3)no1)c1ccc(-c2nn(C3(C)CC3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C26H27F3N6O3/c1-13(22(37)32-17-9-16(34-38-17)24-10-25(11-24,12-24)26(27,28)29)14-3-5-15(6-4-14)19-18(21(31)36)20(30)35(33-19)23(2)7-8-23/h3-6,9,13H,7-8,10-12,30H2,1-2H3,(H2,31,36)(H,32,37)
InChIKeyRELWXAGJWZIMGB-UHFFFAOYSA-N
MW528.54 g/mol
LogP4.45
Rot. Bonds7

About 5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide

5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 162485635) has the molecular formula C26H27F3N6O3 and a molecular weight of 528.54 g/mol. Its IUPAC name is 5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID162485635
Molecular FormulaC26H27F3N6O3
Molecular Weight528.54 g/mol
Exact Mass528.21
IUPAC Name5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCC(C(=O)Nc1cc(C23CC(C(F)(F)F)(C2)C3)no1)c1ccc(-c2nn(C3(C)CC3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C26H27F3N6O3/c1-13(22(37)32-17-9-16(34-38-17)24-10-25(11-24,12-24)26(27,28)29)14-3-5-15(6-4-14)19-18(21(31)36)20(30)35(33-19)23(2)7-8-23/h3-6,9,13H,7-8,10-12,30H2,1-2H3,(H2,31,36)(H,32,37)
InChIKeyRELWXAGJWZIMGB-UHFFFAOYSA-N
XLogP4.45
TPSA142.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.54
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[3-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,2-oxazol-5-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 164765622
5-amino-3-[2-fluoro-4-[2-[[3-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
CID 164765407
5-amino-3-[4-[1-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[1-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-2-pyridinyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide;5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[5-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]-2-pyridinyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide;5-amino-3-[4-[1-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[1-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163624177
2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-yl]propanamide
CID 162485729
5-amino-3-[4-[1-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-1-oxopropan-2-yl]phenyl]-1-(1,1,1-trideuteriopropan-2-yl)pyrazole-4-carboxamide
CID 162485684
5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
CID 164765642
5-amino-3-[4-[2-[[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
CID 167059255
5-amino-3-[4-[2-oxo-2-[[3-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765656
5-amino-3-[5-[2-[[3-(1-methylcyclopropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163291934
5-amino-3-[4-[3-[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 165090926
2-[4-[5-amino-4-cyano-1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]prop-2-enamide
CID 168861494
5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.0]butanylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 167058943

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide (CID 162485635) is 5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide is CC(C(=O)Nc1cc(C23CC(C(F)(F)F)(C2)C3)no1)c1ccc(-c2nn(C3(C)CC3)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is RELWXAGJWZIMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O3/c1-13(22(37)32-17-9-16(34-38-17)24-10-25(11-24,12-24)26(27,28)29)14-3-5-15(6-4-14)19-18(21(31)36)20(30)35(33-19)23(2)7-8-23/h3-6,9,13H,7-8,10-12,30H2,1-2H3,(H2,31,36)(H,32,37).
What are the key properties of 5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide?
5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 528.54 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1-methylcyclopropyl)-3-[4-[1-oxo-1-[[3-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]-1,2-oxazol-5-yl]amino]propan-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 162485635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).