3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile

C25H24N6O2 — CID 112844370

IUPAC3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile
SMILESCc1ccc2nc(COc3cccc(C(=O)C(C#N)c4nnc5n4CCCCC5)c3)cn2c1
InChIInChI=1S/C25H24N6O2/c1-17-9-10-22-27-19(15-30(22)14-17)16-33-20-7-5-6-18(12-20)24(32)21(13-26)25-29-28-23-8-3-2-4-11-31(23)25/h5-7,9-10,12,14-15,21H,2-4,8,11,16H2,1H3
InChIKeyKEADYSRIIRPOMV-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.03
Rot. Bonds6

About 3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile

3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile (PubChem CID 112844370) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile.

Molecular Properties

Compound Name3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile
PubChem CID112844370
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile
SMILESCc1ccc2nc(COc3cccc(C(=O)C(C#N)c4nnc5n4CCCCC5)c3)cn2c1
InChIInChI=1S/C25H24N6O2/c1-17-9-10-22-27-19(15-30(22)14-17)16-33-20-7-5-6-18(12-20)24(32)21(13-26)25-29-28-23-8-3-2-4-11-31(23)25/h5-7,9-10,12,14-15,21H,2-4,8,11,16H2,1H3
InChIKeyKEADYSRIIRPOMV-UHFFFAOYSA-N
XLogP4.03
TPSA98.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile with MolForge

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Related Compounds

cyclobutyl-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 56512391
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18209521
[4-(methylamino)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119560978
[2-(aminomethyl)piperidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 119467223
N-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 51112147
2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55512123
(2S)-3-(1-ethylindol-2-yl)-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile
CID 94809621
[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 112812285
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-propylbenzamide
CID 30661051
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 119649641
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 18287359
N-[(4-fluorophenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 55512005

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile?
The IUPAC name of 3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile (CID 112844370) is 3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile.
What is the SMILES notation for 3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile?
The canonical SMILES for 3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile is Cc1ccc2nc(COc3cccc(C(=O)C(C#N)c4nnc5n4CCCCC5)c3)cn2c1.
What is the InChIKey of 3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile?
The InChIKey is KEADYSRIIRPOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-17-9-10-22-27-19(15-30(22)14-17)16-33-20-7-5-6-18(12-20)24(32)21(13-26)25-29-28-23-8-3-2-4-11-31(23)25/h5-7,9-10,12,14-15,21H,2-4,8,11,16H2,1H3.
What are the key properties of 3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile?
3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile has a molecular weight of 440.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-3-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propanenitrile is sourced from PubChem (CID 112844370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).