[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

C23H25F2N3O3 — CID 131636454

IUPAC[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
SMILESCc1cc(-c2nc(-c3ccc(OC(F)F)c(CO)c3)n3c2CCO[C@H](C)C3)cc(C)n1
InChIInChI=1S/C23H25F2N3O3/c1-13-8-17(9-14(2)26-13)21-19-6-7-30-15(3)11-28(19)22(27-21)16-4-5-20(31-23(24)25)18(10-16)12-29/h4-5,8-10,15,23,29H,6-7,11-12H2,1-3H3/t15-/m1/s1
InChIKeyJUYPGMXDWAZXFL-OAHLLOKOSA-N
MW429.47 g/mol
LogP4.28
Rot. Bonds5

About [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

[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 (PubChem CID 131636454) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID131636454
Molecular FormulaC23H25F2N3O3
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Name[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
SMILESCc1cc(-c2nc(-c3ccc(OC(F)F)c(CO)c3)n3c2CCO[C@H](C)C3)cc(C)n1
InChIInChI=1S/C23H25F2N3O3/c1-13-8-17(9-14(2)26-13)21-19-6-7-30-15(3)11-28(19)22(27-21)16-4-5-20(31-23(24)25)18(10-16)12-29/h4-5,8-10,15,23,29H,6-7,11-12H2,1-3H3/t15-/m1/s1
InChIKeyJUYPGMXDWAZXFL-OAHLLOKOSA-N
XLogP4.28
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1cc(-c2nc(-c3ccc(OC(F)F)c(CO)c3)n3c2CCO[C@H](C)C3)cc(C)n1.
What is the InChIKey of [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?
The InChIKey is JUYPGMXDWAZXFL-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c1-13-8-17(9-14(2)26-13)21-19-6-7-30-15(3)11-28(19)22(27-21)16-4-5-20(31-23(24)25)18(10-16)12-29/h4-5,8-10,15,23,29H,6-7,11-12H2,1-3H3/t15-/m1/s1.
What are the key properties of [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?
[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 has a molecular weight of 429.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 131636454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).