6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone

C23H21N3O2S — CID 16613346

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
SMILESCc1cccn2cc(COc3ccc(C(=O)N4CCc5sccc5C4)cc3)nc12
InChIInChI=1S/C23H21N3O2S/c1-16-3-2-10-25-14-19(24-22(16)25)15-28-20-6-4-17(5-7-20)23(27)26-11-8-21-18(13-26)9-12-29-21/h2-7,9-10,12,14H,8,11,13,15H2,1H3
InChIKeyUHHCRFSCCNXSEC-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.48
Rot. Bonds4

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone (PubChem CID 16613346) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
PubChem CID16613346
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
SMILESCc1cccn2cc(COc3ccc(C(=O)N4CCc5sccc5C4)cc3)nc12
InChIInChI=1S/C23H21N3O2S/c1-16-3-2-10-25-14-19(24-22(16)25)15-28-20-6-4-17(5-7-20)23(27)26-11-8-21-18(13-26)9-12-29-21/h2-7,9-10,12,14H,8,11,13,15H2,1H3
InChIKeyUHHCRFSCCNXSEC-UHFFFAOYSA-N
XLogP4.48
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone (CID 16613346) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone is Cc1cccn2cc(COc3ccc(C(=O)N4CCc5sccc5C4)cc3)nc12.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
The InChIKey is UHHCRFSCCNXSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-16-3-2-10-25-14-19(24-22(16)25)15-28-20-6-4-17(5-7-20)23(27)26-11-8-21-18(13-26)9-12-29-21/h2-7,9-10,12,14H,8,11,13,15H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone has a molecular weight of 403.51 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 16613346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).