(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

C21H17N3O2S — CID 33171337

IUPAC(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCc1noc2ncc(C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)cc12
InChIInChI=1S/C21H17N3O2S/c1-13-17-11-15(12-22-20(17)26-23-13)21(25)24-9-7-18-16(8-10-27-18)19(24)14-5-3-2-4-6-14/h2-6,8,10-12,19H,7,9H2,1H3/t19-/m0/s1
InChIKeyRLLJIHJNMWGXFU-IBGZPJMESA-N
MW375.45 g/mol
LogP4.38
Rot. Bonds2

About (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone

(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 33171337) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID33171337
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCc1noc2ncc(C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)cc12
InChIInChI=1S/C21H17N3O2S/c1-13-17-11-15(12-22-20(17)26-23-13)21(25)24-9-7-18-16(8-10-27-18)19(24)14-5-3-2-4-6-14/h2-6,8,10-12,19H,7,9H2,1H3/t19-/m0/s1
InChIKeyRLLJIHJNMWGXFU-IBGZPJMESA-N
XLogP4.38
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(5,6-dichloro-3-pyridinyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9245818
(2-chloro-4-pyridinyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 46546069
(4-bromophenyl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 21264434
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 33166466
furan-2-yl-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 26004409
(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-quinoxalin-2-ylmethanone
CID 46565494
1-methyl-5-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridin-2-one
CID 138556110
[4-(methylsulfanylmethyl)phenyl]-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55429502
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55685749
[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 51590141
4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one
CID 55986211
(2-fluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9451372

Frequently Asked Questions

What is the IUPAC name of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 33171337) is (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is Cc1noc2ncc(C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)cc12.
What is the InChIKey of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is RLLJIHJNMWGXFU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-13-17-11-15(12-22-20(17)26-23-13)21(25)24-9-7-18-16(8-10-27-18)19(24)14-5-3-2-4-6-14/h2-6,8,10-12,19H,7,9H2,1H3/t19-/m0/s1.
What are the key properties of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 375.45 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 33171337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).