(6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane

C20H24N4O — CID 124997654

IUPAC(6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane
SMILESCc1cccc(CN2CCOC[C@@H](Cc3ccc4[nH]ncc4c3)C2)n1
InChIInChI=1S/C20H24N4O/c1-15-3-2-4-19(22-15)13-24-7-8-25-14-17(12-24)9-16-5-6-20-18(10-16)11-21-23-20/h2-6,10-11,17H,7-9,12-14H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyRBXCFFJZLGWZOU-KRWDZBQOSA-N
MW336.44 g/mol
LogP2.96
Rot. Bonds4

About (6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane

(6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane (PubChem CID 124997654) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane.

Molecular Properties

Compound Name(6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane
PubChem CID124997654
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane
SMILESCc1cccc(CN2CCOC[C@@H](Cc3ccc4[nH]ncc4c3)C2)n1
InChIInChI=1S/C20H24N4O/c1-15-3-2-4-19(22-15)13-24-7-8-25-14-17(12-24)9-16-5-6-20-18(10-16)11-21-23-20/h2-6,10-11,17H,7-9,12-14H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyRBXCFFJZLGWZOU-KRWDZBQOSA-N
XLogP2.96
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-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

Related Compounds

(6S)-6-(1H-indazol-5-ylmethyl)-4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepane
CID 125019193
(6R)-4-(1H-imidazol-2-ylmethyl)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane
CID 125026089
4-[[(6S)-6-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]phenol
CID 95847976
(6S)-4-(1H-imidazol-5-ylmethyl)-6-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane
CID 95847960
6-(1H-indol-5-ylmethyl)-4-(pyridin-2-ylmethyl)-1,4-oxazepane
CID 127245807
[4-[[(3R)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methanamine
CID 59159018
1-[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone
CID 125013888
(6S)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepane
CID 124938715
5-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159035
[3-[(2,6-dimethylpyrimidin-4-yl)amino]phenyl]-[(6S)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124951536
(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane
CID 124943895
[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
CID 124984174

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane?
The IUPAC name of (6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane (CID 124997654) is (6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane.
What is the SMILES notation for (6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane?
The canonical SMILES for (6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane is Cc1cccc(CN2CCOC[C@@H](Cc3ccc4[nH]ncc4c3)C2)n1.
What is the InChIKey of (6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane?
The InChIKey is RBXCFFJZLGWZOU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-3-2-4-19(22-15)13-24-7-8-25-14-17(12-24)9-16-5-6-20-18(10-16)11-21-23-20/h2-6,10-11,17H,7-9,12-14H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane?
(6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane has a molecular weight of 336.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(1H-indazol-5-ylmethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-oxazepane is sourced from PubChem (CID 124997654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).