(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

C23H28Cl2N6O2 — CID 70075023

IUPAC(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
SMILESCCCN(CCC)Cc1nc(-c2ncn3c2[C@@H]2CCCN2C(=O)c2c(Cl)cccc2-3)no1.Cl
InChIInChI=1S/C23H27ClN6O2.ClH/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;1H/t17-;/m0./s1
InChIKeyDSMBTDXPZCVQIJ-LMOVPXPDSA-N
MW491.42 g/mol
LogP4.91
Rot. Bonds7

About (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

(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 (PubChem CID 70075023) has the molecular formula C23H28Cl2N6O2 and a molecular weight of 491.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID70075023
Molecular FormulaC23H28Cl2N6O2
Molecular Weight491.42 g/mol
Exact Mass490.17
IUPAC Name(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
SMILESCCCN(CCC)Cc1nc(-c2ncn3c2[C@@H]2CCCN2C(=O)c2c(Cl)cccc2-3)no1.Cl
InChIInChI=1S/C23H27ClN6O2.ClH/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;1H/t17-;/m0./s1
InChIKeyDSMBTDXPZCVQIJ-LMOVPXPDSA-N
XLogP4.91
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.42
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 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

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
(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
(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)-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-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
(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
13-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one
CID 21289963
(2-chlorophenyl)methyl (7S)-14-chloro-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
CID 54097741
13-chloro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylic acid
CID 21289943
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
(7S)-15-ethynyl-5-(3-phenyl-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 10525448
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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCN(CCC)Cc1nc(-c2ncn3c2[C@@H]2CCCN2C(=O)c2c(Cl)cccc2-3)no1.Cl.
What is the InChIKey of (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?
The InChIKey is DSMBTDXPZCVQIJ-LMOVPXPDSA-N. The full InChI is InChI=1S/C23H27ClN6O2.ClH/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;1H/t17-;/m0./s1.
What are the key properties of (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?
(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 has a molecular weight of 491.42 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 70075023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).