8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C19H22N4OS — CID 118746611

IUPAC8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCc1ccsc1CN1CCn2c(COc3cccnc3)cnc2C1C
InChIInChI=1S/C19H22N4OS/c1-14-5-9-25-18(14)12-22-7-8-23-16(10-21-19(23)15(22)2)13-24-17-4-3-6-20-11-17/h3-6,9-11,15H,7-8,12-13H2,1-2H3
InChIKeyDYGUQHVECDBUDH-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.80
Rot. Bonds5

About 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 118746611) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID118746611
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCc1ccsc1CN1CCn2c(COc3cccnc3)cnc2C1C
InChIInChI=1S/C19H22N4OS/c1-14-5-9-25-18(14)12-22-7-8-23-16(10-21-19(23)15(22)2)13-24-17-4-3-6-20-11-17/h3-6,9-11,15H,7-8,12-13H2,1-2H3
InChIKeyDYGUQHVECDBUDH-UHFFFAOYSA-N
XLogP3.80
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025793
N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 59225642
N-[5-(2-imidazol-1-ylethylsulfanyl)-3-phenylmethoxy-2-pyridinyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 72703061
US9096589, 8-Methoxy-5-methyl-2-{2-[1-(2-morpholin-4-yl-ethyl)-4-thiophen-2-yl-1H-imidazol-2-yl]-ethyl}-[1,2,4]triazolo[1,5-a]pyridine
CID 53234600
N-benzyl-6-methoxy-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 137653334
2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 155548368
US8927738, 8-Methoxy-5-methyl-2-[2-(1-methyl-2-thiophen-2-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53244676
US9096589, 8-Methoxy-5-methyl-2-[2-(1-propyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250497
US9096589, 8-Methoxy-5-methyl-2-[2-(1-methyl-4-thiophen-3-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250500
US9096589, 8-Methoxy-2-[(E)-2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53251928
US9096589, 8-Methoxy-2-[(E)-2-(1-methyl-4-thiophen-3-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53251929
US9096589, 8-Methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-vinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53252085

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 118746611) is 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is Cc1ccsc1CN1CCn2c(COc3cccnc3)cnc2C1C.
What is the InChIKey of 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is DYGUQHVECDBUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-14-5-9-25-18(14)12-22-7-8-23-16(10-21-19(23)15(22)2)13-24-17-4-3-6-20-11-17/h3-6,9-11,15H,7-8,12-13H2,1-2H3.
What are the key properties of 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 354.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 118746611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).