N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide

C25H27FN4O3 — CID 167663917

IUPACN-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide
SMILESCc1cc(-c2ccnc(NC(=O)C3(F)CC3)c2)ccc1CCC(=O)c1noc(C(C)(C)C)n1
InChIInChI=1S/C25H27FN4O3/c1-15-13-17(18-9-12-27-20(14-18)28-22(32)25(26)10-11-25)6-5-16(15)7-8-19(31)21-29-23(33-30-21)24(2,3)4/h5-6,9,12-14H,7-8,10-11H2,1-4H3,(H,27,28,32)
InChIKeySIXLQMOYOGDMMV-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.99
Rot. Bonds7

About N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide

N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide (PubChem CID 167663917) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide
PubChem CID167663917
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC NameN-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide
SMILESCc1cc(-c2ccnc(NC(=O)C3(F)CC3)c2)ccc1CCC(=O)c1noc(C(C)(C)C)n1
InChIInChI=1S/C25H27FN4O3/c1-15-13-17(18-9-12-27-20(14-18)28-22(32)25(26)10-11-25)6-5-16(15)7-8-19(31)21-29-23(33-30-21)24(2,3)4/h5-6,9,12-14H,7-8,10-11H2,1-4H3,(H,27,28,32)
InChIKeySIXLQMOYOGDMMV-UHFFFAOYSA-N
XLogP4.99
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-2-fluoro-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 167685178
N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 167679607
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-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 155288152
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
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]propan-1-one
CID 158018205
4-[(5R)-5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]-N-(1-methylpyrazol-4-yl)pyridin-2-amine;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-[(5S)-2-[2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]ethanone
CID 158329358
1-tert-butyl-N-[[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-methylphenyl]methyl]pyrazole-3-carboxamide
CID 155288086
3-tert-butyl-N-[[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 155288155
5-tert-butyl-N-[[2-methyl-4-(3-piperidin-4-yl-4-pyridinyl)phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide;hydrochloride
CID 162725376
tert-butyl 4-[4-[4-[[(5-tert-butyl-1,2,4-oxadiazole-3-carbonyl)amino]methyl]-3-methylphenyl]-5-fluoro-3-pyridinyl]piperazine-1-carboxylate
CID 162725315

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of 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) is N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide is Cc1cc(-c2ccnc(NC(=O)C3(F)CC3)c2)ccc1CCC(=O)c1noc(C(C)(C)C)n1.
What is the InChIKey of N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide?
The InChIKey is SIXLQMOYOGDMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-15-13-17(18-9-12-27-20(14-18)28-22(32)25(26)10-11-25)6-5-16(15)7-8-19(31)21-29-23(33-30-21)24(2,3)4/h5-6,9,12-14H,7-8,10-11H2,1-4H3,(H,27,28,32).
What are the key properties of N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide?
N-[4-[4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 4.99, 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]-3-methylphenyl]-2-pyridinyl]-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 167663917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).