2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione

C22H20N4O2 — CID 165131617

IUPAC2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cn2cc(C3CC3)cc(C3CNC3)c2n1
InChIInChI=1S/C22H20N4O2/c27-21-17-3-1-2-4-18(17)22(28)26(21)12-16-11-25-10-14(13-5-6-13)7-19(20(25)24-16)15-8-23-9-15/h1-4,7,10-11,13,15,23H,5-6,8-9,12H2
InChIKeySQZAHEKIBIOGDO-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.69
Rot. Bonds4

About 2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione

2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione (PubChem CID 165131617) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
PubChem CID165131617
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cn2cc(C3CC3)cc(C3CNC3)c2n1
InChIInChI=1S/C22H20N4O2/c27-21-17-3-1-2-4-18(17)22(28)26(21)12-16-11-25-10-14(13-5-6-13)7-19(20(25)24-16)15-8-23-9-15/h1-4,7,10-11,13,15,23H,5-6,8-9,12H2
InChIKeySQZAHEKIBIOGDO-UHFFFAOYSA-N
XLogP2.69
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride
CID 165131719
2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
CID 165132782
2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione
CID 165134144
2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride
CID 156819355
tert-butyl 3-[2-[[3-[(Z)-but-1-enyl]-4-methyl-2,5-dioxopyrrol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]azetidine-1-carboxylate
CID 165133411
2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione
CID 177333947
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione
CID 131122854
tert-butyl 4-[6-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylate
CID 165132809
benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139487461
N-[6-[[8-(azetidin-3-yloxy)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 171758423
1-(6-cyclopropyl-8-methylimidazo[1,2-a]pyridin-2-yl)-N-methylmethanamine
CID 175623441
1-[6-cyclopropyl-2-[(4-methylpyrazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]pyrrolidin-2-one
CID 139498993

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione (CID 165131617) is 2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cn2cc(C3CC3)cc(C3CNC3)c2n1.
What is the InChIKey of 2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is SQZAHEKIBIOGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-21-17-3-1-2-4-18(17)22(28)26(21)12-16-11-25-10-14(13-5-6-13)7-19(20(25)24-16)15-8-23-9-15/h1-4,7,10-11,13,15,23H,5-6,8-9,12H2.
What are the key properties of 2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione?
2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 372.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 165131617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).