(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane

C16H22N4O2 — CID 75367652

IUPAC(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
SMILESCc1cccc(O[C@H]2COCCN(Cc3cnn(C)c3)C2)n1
InChIInChI=1S/C16H22N4O2/c1-13-4-3-5-16(18-13)22-15-11-20(6-7-21-12-15)10-14-8-17-19(2)9-14/h3-5,8-9,15H,6-7,10-12H2,1-2H3/t15-/m1/s1
InChIKeyQJHIOUVXQNTJOZ-OAHLLOKOSA-N
MW302.38 g/mol
LogP1.40
Rot. Bonds4

About (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane

(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane (PubChem CID 75367652) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
PubChem CID75367652
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
SMILESCc1cccc(O[C@H]2COCCN(Cc3cnn(C)c3)C2)n1
InChIInChI=1S/C16H22N4O2/c1-13-4-3-5-16(18-13)22-15-11-20(6-7-21-12-15)10-14-8-17-19(2)9-14/h3-5,8-9,15H,6-7,10-12H2,1-2H3/t15-/m1/s1
InChIKeyQJHIOUVXQNTJOZ-OAHLLOKOSA-N
XLogP1.40
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane 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)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
The IUPAC name of (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane (CID 75367652) is (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane.
What is the SMILES notation for (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
The canonical SMILES for (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane is Cc1cccc(O[C@H]2COCCN(Cc3cnn(C)c3)C2)n1.
What is the InChIKey of (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
The InChIKey is QJHIOUVXQNTJOZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13-4-3-5-16(18-13)22-15-11-20(6-7-21-12-15)10-14-8-17-19(2)9-14/h3-5,8-9,15H,6-7,10-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
(6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane has a molecular weight of 302.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(1-methylpyrazol-4-yl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane is sourced from PubChem (CID 75367652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).