[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

C22H25N3O2S — CID 91625187

IUPAC[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCC(N4CCc5sccc5C4)CC3)[nH]c2c1
InChIInChI=1S/C22H25N3O2S/c1-27-18-3-2-15-12-20(23-19(15)13-18)22(26)24-8-4-17(5-9-24)25-10-6-21-16(14-25)7-11-28-21/h2-3,7,11-13,17,23H,4-6,8-10,14H2,1H3
InChIKeyMWEWBFSCRIFGHK-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.90
Rot. Bonds3

About [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (PubChem CID 91625187) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
PubChem CID91625187
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCC(N4CCc5sccc5C4)CC3)[nH]c2c1
InChIInChI=1S/C22H25N3O2S/c1-27-18-3-2-15-12-20(23-19(15)13-18)22(26)24-8-4-17(5-9-24)25-10-6-21-16(14-25)7-11-28-21/h2-3,7,11-13,17,23H,4-6,8-10,14H2,1H3
InChIKeyMWEWBFSCRIFGHK-UHFFFAOYSA-N
XLogP3.90
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (CID 91625187) is [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is COc1ccc2cc(C(=O)N3CCC(N4CCc5sccc5C4)CC3)[nH]c2c1.
What is the InChIKey of [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The InChIKey is MWEWBFSCRIFGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-27-18-3-2-15-12-20(23-19(15)13-18)22(26)24-8-4-17(5-9-24)25-10-6-21-16(14-25)7-11-28-21/h2-3,7,11-13,17,23H,4-6,8-10,14H2,1H3.
What are the key properties of [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone has a molecular weight of 395.53 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 91625187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).