14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one

C23H27BrN6O2 — CID 22914320

IUPAC14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
SMILESCCCN(CCC)Cc1nc(-c2ncn3c2C2CCCN2C(=O)c2c(Br)cccc2-3)no1
InChIInChI=1S/C23H27BrN6O2/c1-3-10-28(11-4-2)13-18-26-22(27-32-18)20-21-17-9-6-12-29(17)23(31)19-15(24)7-5-8-16(19)30(21)14-25-20/h5,7-8,14,17H,3-4,6,9-13H2,1-2H3
InChIKeyNPNAZAZAIKLPGE-UHFFFAOYSA-N
MW499.41 g/mol
LogP4.60
Rot. Bonds7

About 14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one

14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one (PubChem CID 22914320) has the molecular formula C23H27BrN6O2 and a molecular weight of 499.41 g/mol. Its IUPAC name is 14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one.

Molecular Properties

Compound Name14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
PubChem CID22914320
Molecular FormulaC23H27BrN6O2
Molecular Weight499.41 g/mol
Exact Mass498.14
IUPAC Name14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
SMILESCCCN(CCC)Cc1nc(-c2ncn3c2C2CCCN2C(=O)c2c(Br)cccc2-3)no1
InChIInChI=1S/C23H27BrN6O2/c1-3-10-28(11-4-2)13-18-26-22(27-32-18)20-21-17-9-6-12-29(17)23(31)19-15(24)7-5-8-16(19)30(21)14-25-20/h5,7-8,14,17H,3-4,6,9-13H2,1-2H3
InChIKeyNPNAZAZAIKLPGE-UHFFFAOYSA-N
XLogP4.60
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one with MolForge

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Related Compounds

(7S)-14-chloro-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one;hydrochloride
CID 70075023
(7S)-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one;hydrochloride
CID 70074413
(2S)-15-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]-8-thia-5,12,14-triazatetracyclo[10.3.0.02,5.07,11]pentadeca-1(15),7(11),9,13-tetraen-6-one
CID 54438775
(7S)-5-[5-[[bis(prop-2-enyl)amino]methyl]-1,2,4-oxadiazol-3-yl]-14-thia-2,4,11-triazatetracyclo[11.3.0.02,6.07,11]hexadeca-1(13),3,5,15-tetraen-12-one
CID 54249547
(7S)-14-bromo-5-(3-hydroxy-3-methylbut-1-ynyl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
CID 54450709
(7S)-14-bromo-N-(2-fluoroethyl)-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxamide
CID 71521430
(7S)-14-chloro-5-[3-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazol-5-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
CID 22876625
(7S)-14-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
CID 21154065
5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-14-fluoro-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one
CID 22914501
7-bromo-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10340921
(7S)-14-chloro-15-fluoro-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one
CID 21154063
ethyl (7S)-12-oxo-14-tributylstannyl-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
CID 177430555

Frequently Asked Questions

What is the IUPAC name of 14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one?
The IUPAC name of 14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one (CID 22914320) is 14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one.
What is the SMILES notation for 14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one?
The canonical SMILES for 14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one is CCCN(CCC)Cc1nc(-c2ncn3c2C2CCCN2C(=O)c2c(Br)cccc2-3)no1.
What is the InChIKey of 14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one?
The InChIKey is NPNAZAZAIKLPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN6O2/c1-3-10-28(11-4-2)13-18-26-22(27-32-18)20-21-17-9-6-12-29(17)23(31)19-15(24)7-5-8-16(19)30(21)14-25-20/h5,7-8,14,17H,3-4,6,9-13H2,1-2H3.
What are the key properties of 14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one?
14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one has a molecular weight of 499.41 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-bromo-5-[5-[(dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one is sourced from PubChem (CID 22914320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).