2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole

C23H27N5OS — CID 164876597

IUPAC2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3cc(-c4nnc(C5CCNCC5)o4)sc3c2C(C)C)cc(C)n1
InChIInChI=1S/C23H27N5OS/c1-12(2)19-20(16-9-13(3)25-14(4)10-16)26-17-11-18(30-21(17)19)23-28-27-22(29-23)15-5-7-24-8-6-15/h9-12,15,24,26H,5-8H2,1-4H3
InChIKeyOFPSKYIUTBCQLT-UHFFFAOYSA-N
MW421.57 g/mol
LogP5.55
Rot. Bonds4

About 2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole

2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole (PubChem CID 164876597) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
PubChem CID164876597
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC Name2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3cc(-c4nnc(C5CCNCC5)o4)sc3c2C(C)C)cc(C)n1
InChIInChI=1S/C23H27N5OS/c1-12(2)19-20(16-9-13(3)25-14(4)10-16)26-17-11-18(30-21(17)19)23-28-27-22(29-23)15-5-7-24-8-6-15/h9-12,15,24,26H,5-8H2,1-4H3
InChIKeyOFPSKYIUTBCQLT-UHFFFAOYSA-N
XLogP5.55
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole (CID 164876597) is 2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3cc(-c4nnc(C5CCNCC5)o4)sc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole?
The InChIKey is OFPSKYIUTBCQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-12(2)19-20(16-9-13(3)25-14(4)10-16)26-17-11-18(30-21(17)19)23-28-27-22(29-23)15-5-7-24-8-6-15/h9-12,15,24,26H,5-8H2,1-4H3.
What are the key properties of 2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole?
2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole has a molecular weight of 421.57 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-5-piperidin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 164876597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).