N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide

C33H40FN5O2 — CID 155060593

IUPACN-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)c1nc(-c2cccc(N(CC34CCC(c5cc(C6CC6)nn5C)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)no1
InChIInChI=1S/C33H40FN5O2/c1-21(2)28-35-27(37-41-28)23-5-4-6-24(15-23)39(29(40)32-17-33(34,18-32)19-32)20-30-9-12-31(13-10-30,14-11-30)26-16-25(22-7-8-22)36-38(26)3/h4-6,15-16,21-22H,7-14,17-20H2,1-3H3
InChIKeyHXULBJVAUKMRFL-UHFFFAOYSA-N
MW557.71 g/mol
LogP6.99
Rot. Bonds8

About N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide

N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 155060593) has the molecular formula C33H40FN5O2 and a molecular weight of 557.71 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID155060593
Molecular FormulaC33H40FN5O2
Molecular Weight557.71 g/mol
Exact Mass557.32
IUPAC NameN-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)c1nc(-c2cccc(N(CC34CCC(c5cc(C6CC6)nn5C)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)no1
InChIInChI=1S/C33H40FN5O2/c1-21(2)28-35-27(37-41-28)23-5-4-6-24(15-23)39(29(40)32-17-33(34,18-32)19-32)20-30-9-12-31(13-10-30,14-11-30)26-16-25(22-7-8-22)36-38(26)3/h4-6,15-16,21-22H,7-14,17-20H2,1-3H3
InChIKeyHXULBJVAUKMRFL-UHFFFAOYSA-N
XLogP6.99
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.71
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide with MolForge

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Related Compounds

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(4-methylpyrimidin-2-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155060782
N-[3-[4-(difluoromethoxy)phenyl]phenyl]-3-fluoro-N-[[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155060746
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-methyl-2-pyridinyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155060475
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-(3-imidazo[1,2-a]pyridin-7-ylphenyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 155060812
N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-[4-(methanesulfonamido)phenyl]phenyl]acetamide
CID 171474154
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetamide
CID 171474075
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-fluoro-N-[[4-(2-methyl-4-pyridinyl)-1-bicyclo[2.2.2]octanyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155060740
N-[[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
CID 155060741
N-[[4-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(2-oxo-3H-1,3-benzoxazol-6-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155060865
methyl 4-[[N-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-3-[5-(3-methyloxetan-3-yl)-1,2,4-oxadiazol-3-yl]anilino]methyl]bicyclo[2.2.2]octane-1-carboxylate
CID 157418422
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(3-sulfamoylphenyl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 155060951
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-(3-imidazo[1,2-a]pyridin-8-ylphenyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 155060539

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 155060593) is N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide is CC(C)c1nc(-c2cccc(N(CC34CCC(c5cc(C6CC6)nn5C)(CC3)CC4)C(=O)C34CC(F)(C3)C4)c2)no1.
What is the InChIKey of N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is HXULBJVAUKMRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40FN5O2/c1-21(2)28-35-27(37-41-28)23-5-4-6-24(15-23)39(29(40)32-17-33(34,18-32)19-32)20-30-9-12-31(13-10-30,14-11-30)26-16-25(22-7-8-22)36-38(26)3/h4-6,15-16,21-22H,7-14,17-20H2,1-3H3.
What are the key properties of N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide?
N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 557.71 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-cyclopropyl-1-methylpyrazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-3-fluoro-N-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 155060593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).