(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

C17H13ClFN5O2 — CID 21154063

IUPAC(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
SMILESCc1noc(-c2ncn3c2[C@@H]2CCCN2C(=O)c2c-3ccc(F)c2Cl)n1
InChIInChI=1S/C17H13ClFN5O2/c1-8-21-16(26-22-8)14-15-11-3-2-6-23(11)17(25)12-10(24(15)7-20-14)5-4-9(19)13(12)18/h4-5,7,11H,2-3,6H2,1H3/t11-/m0/s1
InChIKeyOVOOVVRFTWWORC-NSHDSACASA-N
MW373.78 g/mol
LogP3.31
Rot. Bonds1

About (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

(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 (PubChem CID 21154063) has the molecular formula C17H13ClFN5O2 and a molecular weight of 373.78 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID21154063
Molecular FormulaC17H13ClFN5O2
Molecular Weight373.78 g/mol
Exact Mass373.07
IUPAC Name(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
SMILESCc1noc(-c2ncn3c2[C@@H]2CCCN2C(=O)c2c-3ccc(F)c2Cl)n1
InChIInChI=1S/C17H13ClFN5O2/c1-8-21-16(26-22-8)14-15-11-3-2-6-23(11)17(25)12-10(24(15)7-20-14)5-4-9(19)13(12)18/h4-5,7,11H,2-3,6H2,1H3/t11-/m0/s1
InChIKeyOVOOVVRFTWWORC-NSHDSACASA-N
XLogP3.31
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.78
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1noc(-c2ncn3c2[C@@H]2CCCN2C(=O)c2c-3ccc(F)c2Cl)n1.
What is the InChIKey of (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?
The InChIKey is OVOOVVRFTWWORC-NSHDSACASA-N. The full InChI is InChI=1S/C17H13ClFN5O2/c1-8-21-16(26-22-8)14-15-11-3-2-6-23(11)17(25)12-10(24(15)7-20-14)5-4-9(19)13(12)18/h4-5,7,11H,2-3,6H2,1H3/t11-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 373.78 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 21154063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).