[9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone

C23H25N3O2S — CID 46238799

IUPAC[9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCOC2(CCN(Cc3cc4ccccc4s3)CC2)C1
InChIInChI=1S/C23H25N3O2S/c27-22(19-5-3-9-24-15-19)26-12-13-28-23(17-26)7-10-25(11-8-23)16-20-14-18-4-1-2-6-21(18)29-20/h1-6,9,14-15H,7-8,10-13,16-17H2
InChIKeyGBAOMXXXTALXAK-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.80
Rot. Bonds3

About [9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone

[9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone (PubChem CID 46238799) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is [9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone
PubChem CID46238799
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name[9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCOC2(CCN(Cc3cc4ccccc4s3)CC2)C1
InChIInChI=1S/C23H25N3O2S/c27-22(19-5-3-9-24-15-19)26-12-13-28-23(17-26)7-10-25(11-8-23)16-20-14-18-4-1-2-6-21(18)29-20/h1-6,9,14-15H,7-8,10-13,16-17H2
InChIKeyGBAOMXXXTALXAK-UHFFFAOYSA-N
XLogP3.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone 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

6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
[9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155848821
phenyl-[9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 97372283
(9-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827533
[9-(5-methylpyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone
CID 97450891
pyridin-3-yl-(9-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155844882
[(6R)-4-methyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-pyridin-3-ylmethanone
CID 97494589
[8-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 134072870
[2-(3-methoxy-1,2-oxazole-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]-pyridin-3-ylmethanone
CID 155870453
[9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 97450861
(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562293
[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 780116

Frequently Asked Questions

What is the IUPAC name of [9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone?
The IUPAC name of [9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone (CID 46238799) is [9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCOC2(CCN(Cc3cc4ccccc4s3)CC2)C1.
What is the InChIKey of [9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone?
The InChIKey is GBAOMXXXTALXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c27-22(19-5-3-9-24-15-19)26-12-13-28-23(17-26)7-10-25(11-8-23)16-20-14-18-4-1-2-6-21(18)29-20/h1-6,9,14-15H,7-8,10-13,16-17H2.
What are the key properties of [9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone?
[9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone has a molecular weight of 407.54 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(1-benzothiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 46238799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).