8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

C24H23ClN6O3 — CID 126599804

IUPAC8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCOc1nc(C2=NC(c3c4n(c5ccc(Cl)cc35)CCOC4)CON2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23ClN6O3/c1-14-10-30(13-26-14)20-6-4-17(28-24(20)32-2)23-27-18(11-34-29-23)22-16-9-15(25)3-5-19(16)31-7-8-33-12-21(22)31/h3-6,9-10,13,18H,7-8,11-12H2,1-2H3,(H,27,29)
InChIKeyPJJKMAGRQZCGKI-UHFFFAOYSA-N
MW478.94 g/mol
LogP3.75
Rot. Bonds4

About 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (PubChem CID 126599804) has the molecular formula C24H23ClN6O3 and a molecular weight of 478.94 g/mol. Its IUPAC name is 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
PubChem CID126599804
Molecular FormulaC24H23ClN6O3
Molecular Weight478.94 g/mol
Exact Mass478.15
IUPAC Name8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCOc1nc(C2=NC(c3c4n(c5ccc(Cl)cc35)CCOC4)CON2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H23ClN6O3/c1-14-10-30(13-26-14)20-6-4-17(28-24(20)32-2)23-27-18(11-34-29-23)22-16-9-15(25)3-5-19(16)31-7-8-33-12-21(22)31/h3-6,9-10,13,18H,7-8,11-12H2,1-2H3,(H,27,29)
InChIKeyPJJKMAGRQZCGKI-UHFFFAOYSA-N
XLogP3.75
TPSA87.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole with MolForge

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Related Compounds

5-(3,5-dichlorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
CID 124127307
5-(4-chlorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
CID 124127338
5-(3-chloro-4-fluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
CID 124127340
5-(4-chloro-3-fluorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
CID 124127381
5-(3,4-dichlorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
CID 124127387
5-(3-chloro-4-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
CID 124134280
5-(3-chlorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
CID 124134324
5-(3-chloro-4-cyclopropylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
CID 124134348
5-[3-chloro-4-(trifluoromethyl)phenyl]-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazine
CID 124134419
5-(3-chlorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine
CID 126599757
5-(4-Chlorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6,6-dimethyl-2,5-dihydro-1,2,4-oxadiazine
CID 126599763
5-(4-chlorophenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazine
CID 126599802

Frequently Asked Questions

What is the IUPAC name of 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (CID 126599804) is 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is COc1nc(C2=NC(c3c4n(c5ccc(Cl)cc35)CCOC4)CON2)ccc1-n1cnc(C)c1.
What is the InChIKey of 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is PJJKMAGRQZCGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O3/c1-14-10-30(13-26-14)20-6-4-17(28-24(20)32-2)23-27-18(11-34-29-23)22-16-9-15(25)3-5-19(16)31-7-8-33-12-21(22)31/h3-6,9-10,13,18H,7-8,11-12H2,1-2H3,(H,27,29).
What are the key properties of 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole has a molecular weight of 478.94 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 126599804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).