3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one

C31H29N5O2 — CID 136649602

IUPAC3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(=C1c2ccccc2CCc2cc(Cn3c(C4CC4)nc4c(C)cc(C)nc43)ccc21)c1noc(=O)[nH]1
InChIInChI=1S/C31H29N5O2/c1-17-14-18(2)32-30-27(17)33-29(22-10-11-22)36(30)16-20-8-13-25-23(15-20)12-9-21-6-4-5-7-24(21)26(25)19(3)28-34-31(37)38-35-28/h4-8,13-15,22H,9-12,16H2,1-3H3,(H,34,35,37)
InChIKeyWINXTEJTQNPTJE-UHFFFAOYSA-N
MW503.61 g/mol
LogP5.73
Rot. Bonds4

About 3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one

3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 136649602) has the molecular formula C31H29N5O2 and a molecular weight of 503.61 g/mol. Its IUPAC name is 3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID136649602
Molecular FormulaC31H29N5O2
Molecular Weight503.61 g/mol
Exact Mass503.23
IUPAC Name3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(=C1c2ccccc2CCc2cc(Cn3c(C4CC4)nc4c(C)cc(C)nc43)ccc21)c1noc(=O)[nH]1
InChIInChI=1S/C31H29N5O2/c1-17-14-18(2)32-30-27(17)33-29(22-10-11-22)36(30)16-20-8-13-25-23(15-20)12-9-21-6-4-5-7-24(21)26(25)19(3)28-34-31(37)38-35-28/h4-8,13-15,22H,9-12,16H2,1-3H3,(H,34,35,37)
InChIKeyWINXTEJTQNPTJE-UHFFFAOYSA-N
XLogP5.73
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.61
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

Analyze 3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one 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

4-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]phenyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
CID 9824776
5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine
CID 10004498
2-ethyl-5,7-dimethyl-3-[[4-[5-propyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 44372744
2-ethyl-5,7-dimethyl-3-[[(2Z)-2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine
CID 69016303
3-[(1Z)-1-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one
CID 136364739
2-ethyl-5,7-dimethyl-3-[[2-[1-(2H-tetrazol-5-yl)ethyl]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine
CID 145992093
2-ethyl-5,7-dimethyl-3-[2-[2-(2H-tetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]imidazo[4,5-b]pyridine
CID 19008934
2-ethyl-5,7-dimethyl-3-[[(2E)-2-[1-(2H-tetrazol-5-yl)ethylidene]-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]methyl]imidazo[4,5-b]pyridine
CID 25003600
1-Benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 72696449
3-[(1E)-1-[6-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one
CID 136364648
1-[2-(Dimethylamino)ethyl]-3-[4-[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-5-yl]phenyl]urea
CID 172210557
3-{7-[(trans-4-Methylcyclohexyl) methyl]-8-[4-(1-methylethyl)pyridin-2-yl]-6-(3-methylphenyl)-7h-purin-2-yl}-1,2,4-oxadiazol-5(4h)-one
CID 134819461

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one (CID 136649602) is 3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one is CC(=C1c2ccccc2CCc2cc(Cn3c(C4CC4)nc4c(C)cc(C)nc43)ccc21)c1noc(=O)[nH]1.
What is the InChIKey of 3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is WINXTEJTQNPTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O2/c1-17-14-18(2)32-30-27(17)33-29(22-10-11-22)36(30)16-20-8-13-25-23(15-20)12-9-21-6-4-5-7-24(21)26(25)19(3)28-34-31(37)38-35-28/h4-8,13-15,22H,9-12,16H2,1-3H3,(H,34,35,37).
What are the key properties of 3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one?
3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 503.61 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-[(2-cyclopropyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene]ethyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 136649602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).