[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone

C20H29N5O2 — CID 97396311

IUPAC[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
SMILESCN(C)CCN1CCOCC12CCN(C(=O)c1cnc3ccccn13)CC2
InChIInChI=1S/C20H29N5O2/c1-22(2)11-12-24-13-14-27-16-20(24)6-9-23(10-7-20)19(26)17-15-21-18-5-3-4-8-25(17)18/h3-5,8,15H,6-7,9-14,16H2,1-2H3
InChIKeyIPMWFIDJMBIPIS-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.20
Rot. Bonds4

About [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone

[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone (PubChem CID 97396311) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
PubChem CID97396311
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
SMILESCN(C)CCN1CCOCC12CCN(C(=O)c1cnc3ccccn13)CC2
InChIInChI=1S/C20H29N5O2/c1-22(2)11-12-24-13-14-27-16-20(24)6-9-23(10-7-20)19(26)17-15-21-18-5-3-4-8-25(17)18/h3-5,8,15H,6-7,9-14,16H2,1-2H3
InChIKeyIPMWFIDJMBIPIS-UHFFFAOYSA-N
XLogP1.20
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone (CID 97396311) is [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone is CN(C)CCN1CCOCC12CCN(C(=O)c1cnc3ccccn13)CC2.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone?
The InChIKey is IPMWFIDJMBIPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-22(2)11-12-24-13-14-27-16-20(24)6-9-23(10-7-20)19(26)17-15-21-18-5-3-4-8-25(17)18/h3-5,8,15H,6-7,9-14,16H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone?
[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone has a molecular weight of 371.49 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-imidazo[1,2-a]pyridin-3-ylmethanone is sourced from PubChem (CID 97396311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).