[3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

C21H28N4O2 — CID 56867706

IUPAC[3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc2ccccn2c1CN1CCC2(CCCC2)C1)N1CCOCC1
InChIInChI=1S/C21H28N4O2/c26-20(24-11-13-27-14-12-24)19-17(25-9-4-1-5-18(25)22-19)15-23-10-8-21(16-23)6-2-3-7-21/h1,4-5,9H,2-3,6-8,10-16H2
InChIKeyQDRCEKMRERJADW-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.57
Rot. Bonds3

About [3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone

[3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (PubChem CID 56867706) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
PubChem CID56867706
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc2ccccn2c1CN1CCC2(CCCC2)C1)N1CCOCC1
InChIInChI=1S/C21H28N4O2/c26-20(24-11-13-27-14-12-24)19-17(25-9-4-1-5-18(25)22-19)15-23-10-8-21(16-23)6-2-3-7-21/h1,4-5,9H,2-3,6-8,10-16H2
InChIKeyQDRCEKMRERJADW-UHFFFAOYSA-N
XLogP2.57
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 56873176
2-[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028868
[3-[[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 45239495
[3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 56862631
morpholin-4-yl-[3-[(1-pyridin-4-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 45211784
(4-cyclohexylpiperazin-1-yl)-[3-[(4-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 29257227
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450463
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
(4-cyclohexylpiperazin-1-yl)-[3-[[methyl-[(3S)-oxolan-3-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 25274299
1-[(6S)-2-[(6-methyl-2-pyridinyl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494997
[(3S,5S)-9-benzyl-2-oxa-9-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
CID 98778276

Frequently Asked Questions

What is the IUPAC name of [3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone (CID 56867706) is [3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is O=C(c1nc2ccccn2c1CN1CCC2(CCCC2)C1)N1CCOCC1.
What is the InChIKey of [3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is QDRCEKMRERJADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-20(24-11-13-27-14-12-24)19-17(25-9-4-1-5-18(25)22-19)15-23-10-8-21(16-23)6-2-3-7-21/h1,4-5,9H,2-3,6-8,10-16H2.
What are the key properties of [3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone?
[3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 368.48 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-azaspiro[4.4]nonan-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56867706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).