15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C23H18ClFN6O2 — CID 138458699

IUPAC15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-c3cnc(F)c(Cl)c3)cc21
InChIInChI=1S/C23H18ClFN6O2/c24-17-11-15(12-26-21(17)25)14-6-7-19-16(10-14)23(32)29-20-5-3-4-18(28-20)22-30-27-13-31(22)8-1-2-9-33-19/h3-7,10-13H,1-2,8-9H2,(H,28,29,32)
InChIKeyCAGXVXNFROQUBK-UHFFFAOYSA-N
MW464.89 g/mol
LogP4.62
Rot. Bonds1

About 15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 138458699) has the molecular formula C23H18ClFN6O2 and a molecular weight of 464.89 g/mol. Its IUPAC name is 15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.

Molecular Properties

Compound Name15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
PubChem CID138458699
Molecular FormulaC23H18ClFN6O2
Molecular Weight464.89 g/mol
Exact Mass464.12
IUPAC Name15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESO=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-c3cnc(F)c(Cl)c3)cc21
InChIInChI=1S/C23H18ClFN6O2/c24-17-11-15(12-26-21(17)25)14-6-7-19-16(10-14)23(32)29-20-5-3-4-18(28-20)22-30-27-13-31(22)8-1-2-9-33-19/h3-7,10-13H,1-2,8-9H2,(H,28,29,32)
InChIKeyCAGXVXNFROQUBK-UHFFFAOYSA-N
XLogP4.62
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.89
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-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 15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The IUPAC name of 15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 138458699) is 15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
What is the SMILES notation for 15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The canonical SMILES for 15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(-c3cnc(F)c(Cl)c3)cc21.
What is the InChIKey of 15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is CAGXVXNFROQUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN6O2/c24-17-11-15(12-26-21(17)25)14-6-7-19-16(10-14)23(32)29-20-5-3-4-18(28-20)22-30-27-13-31(22)8-1-2-9-33-19/h3-7,10-13H,1-2,8-9H2,(H,28,29,32).
What are the key properties of 15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one has a molecular weight of 464.89 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(5-chloro-6-fluoro-3-pyridinyl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is sourced from PubChem (CID 138458699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).