[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone

C19H25N3O3S — CID 126438653

IUPAC[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@H]1CCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1
InChIInChI=1S/C19H25N3O3S/c1-12-16(13(2)25-20-12)9-21-6-5-15-17(11-26-18(15)10-21)19(23)22-7-4-14(8-22)24-3/h11,14H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyTWTMSYZKPHZJEF-AWEZNQCLSA-N
MW375.49 g/mol
LogP2.77
Rot. Bonds4

About [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone

[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone (PubChem CID 126438653) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
PubChem CID126438653
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@H]1CCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1
InChIInChI=1S/C19H25N3O3S/c1-12-16(13(2)25-20-12)9-21-6-5-15-17(11-26-18(15)10-21)19(23)22-7-4-14(8-22)24-3/h11,14H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyTWTMSYZKPHZJEF-AWEZNQCLSA-N
XLogP2.77
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R)-1-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 126431122
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 118770175
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 126444514
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 118770407
N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118795787
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118765062
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2R)-2-hydroxy-3-methoxypropyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 126442887
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2S)-1-methoxypropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118782235
N-[(2R)-1-amino-1-oxobutan-2-yl]-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 126434514
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2R)-hexan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118789257
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118784679
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118788721

Frequently Asked Questions

What is the IUPAC name of [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone?
The IUPAC name of [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone (CID 126438653) is [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone?
The canonical SMILES for [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone is CO[C@H]1CCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1.
What is the InChIKey of [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone?
The InChIKey is TWTMSYZKPHZJEF-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-12-16(13(2)25-20-12)9-21-6-5-15-17(11-26-18(15)10-21)19(23)22-7-4-14(8-22)24-3/h11,14H,4-10H2,1-3H3/t14-/m0/s1.
What are the key properties of [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone?
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone has a molecular weight of 375.49 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 126438653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).