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

C23H24ClN3O2 — CID 131636381

IUPAC(6R)-3-(3-chloro-4-cyclopropyloxyphenyl)-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
SMILESCc1cc(-c2nc(-c3ccc(OC4CC4)c(Cl)c3)n3c2CCO[C@H](C)C3)ccn1
InChIInChI=1S/C23H24ClN3O2/c1-14-11-16(7-9-25-14)22-20-8-10-28-15(2)13-27(20)23(26-22)17-3-6-21(19(24)12-17)29-18-4-5-18/h3,6-7,9,11-12,15,18H,4-5,8,10,13H2,1-2H3/t15-/m1/s1
InChIKeyUPJQLLBDSATFCN-OAHLLOKOSA-N
MW409.92 g/mol
LogP5.08
Rot. Bonds4

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

(6R)-3-(3-chloro-4-cyclopropyloxyphenyl)-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine (PubChem CID 131636381) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is (6R)-3-(3-chloro-4-cyclopropyloxyphenyl)-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-chloro-4-cyclopropyloxyphenyl)-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
PubChem CID131636381
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name(6R)-3-(3-chloro-4-cyclopropyloxyphenyl)-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine
SMILESCc1cc(-c2nc(-c3ccc(OC4CC4)c(Cl)c3)n3c2CCO[C@H](C)C3)ccn1
InChIInChI=1S/C23H24ClN3O2/c1-14-11-16(7-9-25-14)22-20-8-10-28-15(2)13-27(20)23(26-22)17-3-6-21(19(24)12-17)29-18-4-5-18/h3,6-7,9,11-12,15,18H,4-5,8,10,13H2,1-2H3/t15-/m1/s1
InChIKeyUPJQLLBDSATFCN-OAHLLOKOSA-N
XLogP5.08
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.92
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-(3-chloro-4-cyclopropyloxyphenyl)-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-chloro-4-cyclopropyloxyphenyl)-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine (CID 131636381) is (6R)-3-(3-chloro-4-cyclopropyloxyphenyl)-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-chloro-4-cyclopropyloxyphenyl)-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-chloro-4-cyclopropyloxyphenyl)-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine is Cc1cc(-c2nc(-c3ccc(OC4CC4)c(Cl)c3)n3c2CCO[C@H](C)C3)ccn1.
What is the InChIKey of (6R)-3-(3-chloro-4-cyclopropyloxyphenyl)-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine?
The InChIKey is UPJQLLBDSATFCN-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-14-11-16(7-9-25-14)22-20-8-10-28-15(2)13-27(20)23(26-22)17-3-6-21(19(24)12-17)29-18-4-5-18/h3,6-7,9,11-12,15,18H,4-5,8,10,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (6R)-3-(3-chloro-4-cyclopropyloxyphenyl)-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine?
(6R)-3-(3-chloro-4-cyclopropyloxyphenyl)-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine has a molecular weight of 409.92 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-(3-chloro-4-cyclopropyloxyphenyl)-6-methyl-1-(2-methyl-4-pyridinyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]oxazepine is sourced from PubChem (CID 131636381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).