2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide

C25H32N6OS — CID 166052348

IUPAC2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide
SMILESCc1c(-c2[nH]c3sc(C4CCN(CC(N)=O)CC4)c(C)c3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C25H32N6OS/c1-13(2)20-21-16(5)23(17-6-8-30(9-7-17)11-19(26)32)33-25(21)29-22(20)18-10-31-24(27-12-28-31)15(4)14(18)3/h10,12-13,17,29H,6-9,11H2,1-5H3,(H2,26,32)
InChIKeyJPUDVXWXCLXZLS-UHFFFAOYSA-N
MW464.64 g/mol
LogP4.65
Rot. Bonds5

About 2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide

2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide (PubChem CID 166052348) has the molecular formula C25H32N6OS and a molecular weight of 464.64 g/mol. Its IUPAC name is 2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide
PubChem CID166052348
Molecular FormulaC25H32N6OS
Molecular Weight464.64 g/mol
Exact Mass464.24
IUPAC Name2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide
SMILESCc1c(-c2[nH]c3sc(C4CCN(CC(N)=O)CC4)c(C)c3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C25H32N6OS/c1-13(2)20-21-16(5)23(17-6-8-30(9-7-17)11-19(26)32)33-25(21)29-22(20)18-10-31-24(27-12-28-31)15(4)14(18)3/h10,12-13,17,29H,6-9,11H2,1-5H3,(H2,26,32)
InChIKeyJPUDVXWXCLXZLS-UHFFFAOYSA-N
XLogP4.65
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide (CID 166052348) is 2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide is Cc1c(-c2[nH]c3sc(C4CCN(CC(N)=O)CC4)c(C)c3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is JPUDVXWXCLXZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6OS/c1-13(2)20-21-16(5)23(17-6-8-30(9-7-17)11-19(26)32)33-25(21)29-22(20)18-10-31-24(27-12-28-31)15(4)14(18)3/h10,12-13,17,29H,6-9,11H2,1-5H3,(H2,26,32).
What are the key properties of 2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide?
2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 464.64 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 166052348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).