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

C25H32N6O2S — CID 166052464

IUPAC2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide
SMILESCOCc1c(C2CCN(CC(N)=O)CC2)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12
InChIInChI=1S/C25H32N6O2S/c1-14(2)20-21-18(12-33-4)23(16-5-7-30(8-6-16)11-19(26)32)34-25(21)29-22(20)17-9-15(3)24-27-13-28-31(24)10-17/h9-10,13-14,16,29H,5-8,11-12H2,1-4H3,(H2,26,32)
InChIKeyXXLWICBXLMMBOI-UHFFFAOYSA-N
MW480.64 g/mol
LogP4.18
Rot. Bonds7

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

2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide (PubChem CID 166052464) has the molecular formula C25H32N6O2S and a molecular weight of 480.64 g/mol. Its IUPAC name is 2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide
PubChem CID166052464
Molecular FormulaC25H32N6O2S
Molecular Weight480.64 g/mol
Exact Mass480.23
IUPAC Name2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide
SMILESCOCc1c(C2CCN(CC(N)=O)CC2)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12
InChIInChI=1S/C25H32N6O2S/c1-14(2)20-21-18(12-33-4)23(16-5-7-30(8-6-16)11-19(26)32)34-25(21)29-22(20)17-9-15(3)24-27-13-28-31(24)10-17/h9-10,13-14,16,29H,5-8,11-12H2,1-4H3,(H2,26,32)
InChIKeyXXLWICBXLMMBOI-UHFFFAOYSA-N
XLogP4.18
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-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-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide (CID 166052464) is 2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide is COCc1c(C2CCN(CC(N)=O)CC2)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.
What is the InChIKey of 2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is XXLWICBXLMMBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2S/c1-14(2)20-21-18(12-33-4)23(16-5-7-30(8-6-16)11-19(26)32)34-25(21)29-22(20)17-9-15(3)24-27-13-28-31(24)10-17/h9-10,13-14,16,29H,5-8,11-12H2,1-4H3,(H2,26,32).
What are the key properties of 2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide?
2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 480.64 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(methoxymethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 166052464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).