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

C25H25ClN6O3 — CID 126599924

IUPAC8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-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)C(C)ON2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H25ClN6O3/c1-14-11-31(13-27-14)20-7-5-18(28-25(20)33-3)24-29-23(15(2)35-30-24)22-17-10-16(26)4-6-19(17)32-8-9-34-12-21(22)32/h4-7,10-11,13,15,23H,8-9,12H2,1-3H3,(H,29,30)
InChIKeyRZYRHCVJBFJGHI-UHFFFAOYSA-N
MW492.97 g/mol
LogP4.13
Rot. Bonds4

About 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-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]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (PubChem CID 126599924) has the molecular formula C25H25ClN6O3 and a molecular weight of 492.97 g/mol. Its IUPAC name is 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-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]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
PubChem CID126599924
Molecular FormulaC25H25ClN6O3
Molecular Weight492.97 g/mol
Exact Mass492.17
IUPAC Name8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-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)C(C)ON2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H25ClN6O3/c1-14-11-31(13-27-14)20-7-5-18(28-25(20)33-3)24-29-23(15(2)35-30-24)22-17-10-16(26)4-6-19(17)32-8-9-34-12-21(22)32/h4-7,10-11,13,15,23H,8-9,12H2,1-3H3,(H,29,30)
InChIKeyRZYRHCVJBFJGHI-UHFFFAOYSA-N
XLogP4.13
TPSA87.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.97
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-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]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (CID 126599924) is 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-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]-6-methyl-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]-6-methyl-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)C(C)ON2)ccc1-n1cnc(C)c1.
What is the InChIKey of 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-5,6-dihydro-2H-1,2,4-oxadiazin-5-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is RZYRHCVJBFJGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O3/c1-14-11-31(13-27-14)20-7-5-18(28-25(20)33-3)24-29-23(15(2)35-30-24)22-17-10-16(26)4-6-19(17)32-8-9-34-12-21(22)32/h4-7,10-11,13,15,23H,8-9,12H2,1-3H3,(H,29,30).
What are the key properties of 8-chloro-10-[3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-6-methyl-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]-6-methyl-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 492.97 g/mol, XLogP of 4.13, 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]-6-methyl-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 126599924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).