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

C20H26N4O3S — CID 126431122

IUPACN-[(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
SMILESCC(=O)N[C@@H]1CCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1
InChIInChI=1S/C20H26N4O3S/c1-12-17(13(2)27-22-12)9-23-6-5-16-18(11-28-19(16)10-23)20(26)24-7-4-15(8-24)21-14(3)25/h11,15H,4-10H2,1-3H3,(H,21,25)/t15-/m1/s1
InChIKeyPRHNJZHFBOUQOB-OAHLLOKOSA-N
MW402.52 g/mol
LogP2.26
Rot. Bonds4

About 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

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 (PubChem CID 126431122) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID126431122
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-[(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
SMILESCC(=O)N[C@@H]1CCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1
InChIInChI=1S/C20H26N4O3S/c1-12-17(13(2)27-22-12)9-23-6-5-16-18(11-28-19(16)10-23)20(26)24-7-4-15(8-24)21-14(3)25/h11,15H,4-10H2,1-3H3,(H,21,25)/t15-/m1/s1
InChIKeyPRHNJZHFBOUQOB-OAHLLOKOSA-N
XLogP2.26
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

[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
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]-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
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-(2-oxopiperidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118765255
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
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-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118788721
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118794354

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N[C@@H]1CCN(C(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1.
What is the InChIKey of 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?
The InChIKey is PRHNJZHFBOUQOB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-12-17(13(2)27-22-12)9-23-6-5-16-18(11-28-19(16)10-23)20(26)24-7-4-15(8-24)21-14(3)25/h11,15H,4-10H2,1-3H3,(H,21,25)/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 402.52 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126431122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).