1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone

C18H25N3O2S — CID 97368331

IUPAC1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone
SMILESCC(C)COC[C@H]1CN(C(=O)Cc2cccs2)Cc2ncn(C)c21
InChIInChI=1S/C18H25N3O2S/c1-13(2)10-23-11-14-8-21(9-16-18(14)20(3)12-19-16)17(22)7-15-5-4-6-24-15/h4-6,12-14H,7-11H2,1-3H3/t14-/m1/s1
InChIKeyLSRYLGQNQZOUIY-CQSZACIVSA-N
MW347.48 g/mol
LogP2.82
Rot. Bonds6

About 1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone

1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone (PubChem CID 97368331) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone
PubChem CID97368331
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone
SMILESCC(C)COC[C@H]1CN(C(=O)Cc2cccs2)Cc2ncn(C)c21
InChIInChI=1S/C18H25N3O2S/c1-13(2)10-23-11-14-8-21(9-16-18(14)20(3)12-19-16)17(22)7-15-5-4-6-24-15/h4-6,12-14H,7-11H2,1-3H3/t14-/m1/s1
InChIKeyLSRYLGQNQZOUIY-CQSZACIVSA-N
XLogP2.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone with MolForge

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Related Compounds

1-[6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-thiophen-2-ylethanone
CID 133139829
1-[(7R)-7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97423285
1-[(7S)-1-(cyclopropylmethyl)-7-(ethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97468528
1-[(7S)-7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97468220
1-methyl-7-(2-methylpropoxymethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 121229601
1-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-thiophen-2-ylethanone
CID 131645342
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131683277
1-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 71800851
1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 129338796
1-[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-thiophen-2-ylethanone
CID 133142164
5-cyclopentyl-1-methyl-N-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131646186

Frequently Asked Questions

What is the IUPAC name of 1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone (CID 97368331) is 1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone is CC(C)COC[C@H]1CN(C(=O)Cc2cccs2)Cc2ncn(C)c21.
What is the InChIKey of 1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone?
The InChIKey is LSRYLGQNQZOUIY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13(2)10-23-11-14-8-21(9-16-18(14)20(3)12-19-16)17(22)7-15-5-4-6-24-15/h4-6,12-14H,7-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone?
1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone has a molecular weight of 347.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 97368331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).