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

C33H34FN5O2 — CID 155060812

IUPACN-[[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
SMILESO=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccn3ccnc3c2)c1)C12CC(F)(C1)C2
InChIInChI=1S/C33H34FN5O2/c34-33-18-32(19-33,20-33)29(40)39(25-3-1-2-23(16-25)24-6-14-38-15-13-35-26(38)17-24)21-30-7-10-31(11-8-30,12-9-30)28-36-27(37-41-28)22-4-5-22/h1-3,6,13-17,22H,4-5,7-12,18-21H2
InChIKeyFMODNIHPPSRSEF-UHFFFAOYSA-N
MW551.67 g/mol
LogP6.78
Rot. Bonds7

About 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

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 (PubChem CID 155060812) has the molecular formula C33H34FN5O2 and a molecular weight of 551.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID155060812
Molecular FormulaC33H34FN5O2
Molecular Weight551.67 g/mol
Exact Mass551.27
IUPAC NameN-[[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
SMILESO=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccn3ccnc3c2)c1)C12CC(F)(C1)C2
InChIInChI=1S/C33H34FN5O2/c34-33-18-32(19-33,20-33)29(40)39(25-3-1-2-23(16-25)24-6-14-38-15-13-35-26(38)17-24)21-30-7-10-31(11-8-30,12-9-30)28-36-27(37-41-28)22-4-5-22/h1-3,6,13-17,22H,4-5,7-12,18-21H2
InChIKeyFMODNIHPPSRSEF-UHFFFAOYSA-N
XLogP6.78
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.67
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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]-3-fluoro-N-(3-imidazo[1,2-a]pyridin-7-ylphenyl)bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(N(CC12CCC(c3nc(C4CC4)no3)(CC1)CC2)c1cccc(-c2ccn3ccnc3c2)c1)C12CC(F)(C1)C2.
What is the InChIKey of 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?
The InChIKey is FMODNIHPPSRSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN5O2/c34-33-18-32(19-33,20-33)29(40)39(25-3-1-2-23(16-25)24-6-14-38-15-13-35-26(38)17-24)21-30-7-10-31(11-8-30,12-9-30)28-36-27(37-41-28)22-4-5-22/h1-3,6,13-17,22H,4-5,7-12,18-21H2.
What are the key properties of 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?
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 has a molecular weight of 551.67 g/mol, XLogP of 6.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-cyclopropyl-1,2,4-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 is sourced from PubChem (CID 155060812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).