[(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone

C26H26N4O2 — CID 58375008

IUPAC[(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone
SMILESCc1nnc(-c2ccc3c(c2)[C@]2(C)CCN(C(=O)c4ccc5c(c4)CC=N5)[C@H](C3)[C@H]2C)o1
InChIInChI=1S/C26H26N4O2/c1-15-23-14-17-4-5-19(24-29-28-16(2)32-24)13-21(17)26(15,3)9-11-30(23)25(31)20-6-7-22-18(12-20)8-10-27-22/h4-7,10,12-13,15,23H,8-9,11,14H2,1-3H3/t15-,23-,26-/m1/s1
InChIKeyBYOPYMFHYRJPAB-MIBARKHLSA-N
MW426.52 g/mol
LogP4.67
Rot. Bonds2

About [(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone

[(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone (PubChem CID 58375008) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is [(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone.

Molecular Properties

Compound Name[(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone
PubChem CID58375008
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name[(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone
SMILESCc1nnc(-c2ccc3c(c2)[C@]2(C)CCN(C(=O)c4ccc5c(c4)CC=N5)[C@H](C3)[C@H]2C)o1
InChIInChI=1S/C26H26N4O2/c1-15-23-14-17-4-5-19(24-29-28-16(2)32-24)13-21(17)26(15,3)9-11-30(23)25(31)20-6-7-22-18(12-20)8-10-27-22/h4-7,10,12-13,15,23H,8-9,11,14H2,1-3H3/t15-,23-,26-/m1/s1
InChIKeyBYOPYMFHYRJPAB-MIBARKHLSA-N
XLogP4.67
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone with MolForge

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Related Compounds

[4-[2-Methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-(1'-methylspiro[2,3,5,6-tetrahydrocyclopenta[f]indole-7,4'-piperidine]-1-yl)methanone
CID 21833813
[(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-piperidin-1-ylmethanone
CID 58123568
(2R,6R,11S)-6,11-Dimethyl-8-(5-methyl-[1,3,4]oxadiazol-2-yl)-1,2,5,6-tetrahydro-4H-2,6-methano-benzo[d]azocine-3-carboxylic acid tert-butyl ester
CID 58123664
methyl (1R,9R,13S)-10-(3H-indole-5-carbonyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 58375064
ethyl (1R,9R,13S)-10-(3H-indole-5-carbonyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 58375117
[(1R,9R,13S)-1,13-dimethyl-4-(1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone
CID 58375147
2-methyl-5-[(1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole
CID 122501835
tert-butyl (1R)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carboxylate
CID 126493717
[4-(2,3-Dimethylphenyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
CID 37924227
N-methyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 41479200
N-cyclohexyl-3-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide
CID 55879044
N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 56141517

Frequently Asked Questions

What is the IUPAC name of [(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone?
The IUPAC name of [(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone (CID 58375008) is [(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone.
What is the SMILES notation for [(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone?
The canonical SMILES for [(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone is Cc1nnc(-c2ccc3c(c2)[C@]2(C)CCN(C(=O)c4ccc5c(c4)CC=N5)[C@H](C3)[C@H]2C)o1.
What is the InChIKey of [(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone?
The InChIKey is BYOPYMFHYRJPAB-MIBARKHLSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-15-23-14-17-4-5-19(24-29-28-16(2)32-24)13-21(17)26(15,3)9-11-30(23)25(31)20-6-7-22-18(12-20)8-10-27-22/h4-7,10,12-13,15,23H,8-9,11,14H2,1-3H3/t15-,23-,26-/m1/s1.
What are the key properties of [(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone?
[(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone has a molecular weight of 426.52 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,9R,13S)-1,13-dimethyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]-(3H-indol-5-yl)methanone is sourced from PubChem (CID 58375008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).