N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

C34H34F4N6O2 — CID 171473875

IUPACN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESO=C(CC12CC(F)(C1)C2)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cc(C(F)(F)F)c3ncnn3c2)c1
InChIInChI=1S/C34H34F4N6O2/c35-33-16-31(17-33,18-33)14-26(45)43(19-30-6-9-32(10-7-30,11-8-30)29-41-27(42-46-29)21-4-5-21)24-3-1-2-22(12-24)23-13-25(34(36,37)38)28-39-20-40-44(28)15-23/h1-3,12-13,15,20-21H,4-11,14,16-19H2
InChIKeyULNSUPOTHKJTIZ-UHFFFAOYSA-N
MW634.68 g/mol
LogP7.58
Rot. Bonds8

About N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 171473875) has the molecular formula C34H34F4N6O2 and a molecular weight of 634.68 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
PubChem CID171473875
Molecular FormulaC34H34F4N6O2
Molecular Weight634.68 g/mol
Exact Mass634.27
IUPAC NameN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESO=C(CC12CC(F)(C1)C2)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cc(C(F)(F)F)c3ncnn3c2)c1
InChIInChI=1S/C34H34F4N6O2/c35-33-16-31(17-33,18-33)14-26(45)43(19-30-6-9-32(10-7-30,11-8-30)29-41-27(42-46-29)21-4-5-21)24-3-1-2-22(12-24)23-13-25(34(36,37)38)28-39-20-40-44(28)15-23/h1-3,12-13,15,20-21H,4-11,14,16-19H2
InChIKeyULNSUPOTHKJTIZ-UHFFFAOYSA-N
XLogP7.58
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.68
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (CID 171473875) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is O=C(CC12CC(F)(C1)C2)N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2cc(C(F)(F)F)c3ncnn3c2)c1.
What is the InChIKey of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is ULNSUPOTHKJTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F4N6O2/c35-33-16-31(17-33,18-33)14-26(45)43(19-30-6-9-32(10-7-30,11-8-30)29-41-27(42-46-29)21-4-5-21)24-3-1-2-22(12-24)23-13-25(34(36,37)38)28-39-20-40-44(28)15-23/h1-3,12-13,15,20-21H,4-11,14,16-19H2.
What are the key properties of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 634.68 g/mol, XLogP of 7.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 171473875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).