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

C22H24FN3O — CID 90367538

IUPAC(6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
SMILESCc1cc(-c2nc(-c3ccc(C)c(CF)c3)n3c2CCO[C@H](C)C3)ccn1
InChIInChI=1S/C22H24FN3O/c1-14-4-5-18(11-19(14)12-23)22-25-21(17-6-8-24-15(2)10-17)20-7-9-27-16(3)13-26(20)22/h4-6,8,10-11,16H,7,9,12-13H2,1-3H3/t16-/m1/s1
InChIKeyHFPZXBDRTJZIRG-MRXNPFEDSA-N
MW365.45 g/mol
LogP4.66
Rot. Bonds3

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

(6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine (PubChem CID 90367538) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is (6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine.

Molecular Properties

Compound Name(6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
PubChem CID90367538
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name(6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
SMILESCc1cc(-c2nc(-c3ccc(C)c(CF)c3)n3c2CCO[C@H](C)C3)ccn1
InChIInChI=1S/C22H24FN3O/c1-14-4-5-18(11-19(14)12-23)22-25-21(17-6-8-24-15(2)10-17)20-7-9-27-16(3)13-26(20)22/h4-6,8,10-11,16H,7,9,12-13H2,1-3H3/t16-/m1/s1
InChIKeyHFPZXBDRTJZIRG-MRXNPFEDSA-N
XLogP4.66
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine 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 (6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine?
The IUPAC name of (6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine (CID 90367538) is (6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine.
What is the SMILES notation for (6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine?
The canonical SMILES for (6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine is Cc1cc(-c2nc(-c3ccc(C)c(CF)c3)n3c2CCO[C@H](C)C3)ccn1.
What is the InChIKey of (6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine?
The InChIKey is HFPZXBDRTJZIRG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-14-4-5-18(11-19(14)12-23)22-25-21(17-6-8-24-15(2)10-17)20-7-9-27-16(3)13-26(20)22/h4-6,8,10-11,16H,7,9,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of (6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine?
(6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine has a molecular weight of 365.45 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-[3-(fluoromethyl)-4-methylphenyl]-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine is sourced from PubChem (CID 90367538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).