[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone

C18H21N5O2 — CID 124984174

IUPAC[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCOC[C@H](Cc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C18H21N5O2/c1-22-10-17(19-12-22)18(24)23-4-5-25-11-14(9-23)6-13-2-3-16-15(7-13)8-20-21-16/h2-3,7-8,10,12,14H,4-6,9,11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyNIXHPKVBHYVOTH-CQSZACIVSA-N
MW339.40 g/mol
LogP1.63
Rot. Bonds3

About [(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone

[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 124984174) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is [(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID124984174
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCOC[C@H](Cc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C18H21N5O2/c1-22-10-17(19-12-22)18(24)23-4-5-25-11-14(9-23)6-13-2-3-16-15(7-13)8-20-21-16/h2-3,7-8,10,12,14H,4-6,9,11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyNIXHPKVBHYVOTH-CQSZACIVSA-N
XLogP1.63
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
CID 125016667
[6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 110111232
1-[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone
CID 125013888
[3-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]-[(6S)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124951536
(6S)-6-(1H-indazol-5-ylmethyl)-4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepane
CID 125019193
[(6S)-6-(1H-indol-5-ylmethyl)-1,4-oxazepan-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 124948639
[6-(1H-indol-5-ylmethyl)-1,4-oxazepan-4-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 127245872
(6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane
CID 125026089
(5-methylpyrazin-2-yl)-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124969677
(6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane
CID 124997654
[(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 125003659
(6S)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane
CID 124938715

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone (CID 124984174) is [(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)N2CCOC[C@H](Cc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of [(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is NIXHPKVBHYVOTH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-22-10-17(19-12-22)18(24)23-4-5-25-11-14(9-23)6-13-2-3-16-15(7-13)8-20-21-16/h2-3,7-8,10,12,14H,4-6,9,11H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of [(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone?
[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 339.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 124984174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).