N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide

C25H24F4N4O3 — CID 167685178

IUPACN-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1nc(C(=O)CCc2cc(F)c(-c3ccnc(NC(=O)C4CC4)c3)cc2C(F)(F)F)no1
InChIInChI=1S/C25H24F4N4O3/c1-24(2,3)23-32-21(33-36-23)19(34)7-6-15-10-18(26)16(12-17(15)25(27,28)29)14-8-9-30-20(11-14)31-22(35)13-4-5-13/h8-13H,4-7H2,1-3H3,(H,30,31,35)
InChIKeyWCNBCJWTCQRZHG-UHFFFAOYSA-N
MW504.48 g/mol
LogP5.75
Rot. Bonds7

About N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 167685178) has the molecular formula C25H24F4N4O3 and a molecular weight of 504.48 g/mol. Its IUPAC name is N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID167685178
Molecular FormulaC25H24F4N4O3
Molecular Weight504.48 g/mol
Exact Mass504.18
IUPAC NameN-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1nc(C(=O)CCc2cc(F)c(-c3ccnc(NC(=O)C4CC4)c3)cc2C(F)(F)F)no1
InChIInChI=1S/C25H24F4N4O3/c1-24(2,3)23-32-21(33-36-23)19(34)7-6-15-10-18(26)16(12-17(15)25(27,28)29)14-8-9-30-20(11-14)31-22(35)13-4-5-13/h8-13H,4-7H2,1-3H3,(H,30,31,35)
InChIKeyWCNBCJWTCQRZHG-UHFFFAOYSA-N
XLogP5.75
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.48
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide 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

N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 167597399
N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide
CID 167663917
3-tert-butyl-N-[[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 155288155
N-[4-[4-[(1R)-1-aminoethyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;N-[4-[4-[(2S)-4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-oxobutan-2-yl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 167556015
N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 167679607
3-tert-butyl-N-[1-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 155288003
N-[4-[2-[4-[3-(5-tert-butyl-1,2-oxazol-3-yl)-2-oxopropyl]-3-fluorophenyl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
CID 161186398
2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67509417
N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3,3-dimethylbutanamide
CID 174234085
2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-(18F)fluoroethoxy)-N-methyl-1,3-thiazole-5-carboxamide
CID 171350307
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930438
1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-[2-fluoro-4-[2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]-5-methylphenyl]propan-1-one
CID 161228321

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide (CID 167685178) is N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide is CC(C)(C)c1nc(C(=O)CCc2cc(F)c(-c3ccnc(NC(=O)C4CC4)c3)cc2C(F)(F)F)no1.
What is the InChIKey of N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is WCNBCJWTCQRZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N4O3/c1-24(2,3)23-32-21(33-36-23)19(34)7-6-15-10-18(26)16(12-17(15)25(27,28)29)14-8-9-30-20(11-14)31-22(35)13-4-5-13/h8-13H,4-7H2,1-3H3,(H,30,31,35).
What are the key properties of N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 504.48 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 167685178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).