(6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine

C23H25F2N3O3 — CID 131636371

IUPAC(6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
SMILESCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3n2C[C@@H](C)OCC3)ccc1OC(F)F
InChIInChI=1S/C23H25F2N3O3/c1-13-9-17(10-14(2)26-13)21-18-7-8-30-15(3)12-28(18)22(27-21)16-5-6-19(31-23(24)25)20(11-16)29-4/h5-6,9-11,15,23H,7-8,12H2,1-4H3/t15-/m1/s1
InChIKeyXCLHTQZCZPUZQA-OAHLLOKOSA-N
MW429.47 g/mol
LogP4.80
Rot. Bonds5

About (6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine

(6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine (PubChem CID 131636371) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is (6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine.

Molecular Properties

Compound Name(6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
PubChem CID131636371
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Name(6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
SMILESCOc1cc(-c2nc(-c3cc(C)nc(C)c3)c3n2C[C@@H](C)OCC3)ccc1OC(F)F
InChIInChI=1S/C23H25F2N3O3/c1-13-9-17(10-14(2)26-13)21-18-7-8-30-15(3)12-28(18)22(27-21)16-5-6-19(31-23(24)25)20(11-16)29-4/h5-6,9-11,15,23H,7-8,12H2,1-4H3/t15-/m1/s1
InChIKeyXCLHTQZCZPUZQA-OAHLLOKOSA-N
XLogP4.80
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine with MolForge

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Related Compounds

[2-(difluoromethoxy)-5-[(6R)-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl]phenyl]methanol
CID 131636454
1-(2,6-dimethyl-4-pyridinyl)-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 90355261
(6R)-3-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 78320251
(6R)-3-[4-(difluoromethoxy)-3-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 78319943
(6R)-3-[4-(difluoromethoxy)-3-fluorophenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 131636373
3-[4-chloro-3-(difluoromethyl)phenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 122580895
(6R)-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-3-[4-methyl-3-(2-methylpropoxy)phenyl]-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 131636448
5-[1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl]-2-fluorophenol
CID 90354819
3-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 122580906
5-[(6R)-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepin-3-yl]-2-(trifluoromethoxy)benzonitrile
CID 131636390
1-bromo-3-[3-chloro-4-(difluoromethoxy)phenyl]-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 90354726
(6R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
CID 131636363

Frequently Asked Questions

What is the IUPAC name of (6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine?
The IUPAC name of (6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine (CID 131636371) is (6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine.
What is the SMILES notation for (6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine?
The canonical SMILES for (6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine is COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3n2C[C@@H](C)OCC3)ccc1OC(F)F.
What is the InChIKey of (6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine?
The InChIKey is XCLHTQZCZPUZQA-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c1-13-9-17(10-14(2)26-13)21-18-7-8-30-15(3)12-28(18)22(27-21)16-5-6-19(31-23(24)25)20(11-16)29-4/h5-6,9-11,15,23H,7-8,12H2,1-4H3/t15-/m1/s1.
What are the key properties of (6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine?
(6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine has a molecular weight of 429.47 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-(2,6-dimethyl-4-pyridinyl)-6-methyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine is sourced from PubChem (CID 131636371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).