[6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone

C27H28N4O4 — CID 132780045

IUPAC[6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCOCC(Cc3cccc4[nH]ncc34)C2)cc1OCc1ccccn1
InChIInChI=1S/C27H28N4O4/c1-33-25-9-8-21(14-26(25)35-18-22-6-2-3-10-28-22)27(32)31-11-12-34-17-19(16-31)13-20-5-4-7-24-23(20)15-29-30-24/h2-10,14-15,19H,11-13,16-18H2,1H3,(H,29,30)
InChIKeyFUWLWWCHQLGRBR-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.88
Rot. Bonds7

About [6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone

[6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone (PubChem CID 132780045) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is [6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone
PubChem CID132780045
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name[6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCOCC(Cc3cccc4[nH]ncc34)C2)cc1OCc1ccccn1
InChIInChI=1S/C27H28N4O4/c1-33-25-9-8-21(14-26(25)35-18-22-6-2-3-10-28-22)27(32)31-11-12-34-17-19(16-31)13-20-5-4-7-24-23(20)15-29-30-24/h2-10,14-15,19H,11-13,16-18H2,1H3,(H,29,30)
InChIKeyFUWLWWCHQLGRBR-UHFFFAOYSA-N
XLogP3.88
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone with MolForge

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Related Compounds

[(4R)-4-(1H-indazol-4-ylmethyl)azepan-1-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone
CID 125009680
[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-[(6R)-6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125008325
[6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-(2-methoxy-5-piperidin-1-ylphenyl)methanone
CID 132779423
[(6S)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 124950243
[6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 132772422
1-[2-[2-[6-(1H-indazol-4-ylmethyl)-1,4-oxazepane-4-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132773172
[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone
CID 129454120
[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]-[(6R)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124969217
[4-methyl-3-(pyridin-2-ylmethylamino)phenyl]-[6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110151404
[6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 110111232
(2-methoxy-5-piperidin-1-ylphenyl)-[(6R)-6-(quinolin-5-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124942525
[6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 110149400

Frequently Asked Questions

What is the IUPAC name of [6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone?
The IUPAC name of [6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone (CID 132780045) is [6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for [6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone is COc1ccc(C(=O)N2CCOCC(Cc3cccc4[nH]ncc34)C2)cc1OCc1ccccn1.
What is the InChIKey of [6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone?
The InChIKey is FUWLWWCHQLGRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c1-33-25-9-8-21(14-26(25)35-18-22-6-2-3-10-28-22)27(32)31-11-12-34-17-19(16-31)13-20-5-4-7-24-23(20)15-29-30-24/h2-10,14-15,19H,11-13,16-18H2,1H3,(H,29,30).
What are the key properties of [6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone?
[6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone has a molecular weight of 472.55 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 132780045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).