1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one

C27H33N5OS — CID 167605528

About 1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one

1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one (PubChem CID 167605528) has the molecular formula C27H33N5OS and a molecular weight of 475.66 g/mol. Its IUPAC name is 1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one
• PubChem CID: 167605528
• Molecular Formula: C27H33N5OS
• Molecular Weight: 475.66 g/mol
• Exact Mass: 475.24
• IUPAC Name: 1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one
• SMILES: CC(=O)CN1CCC2(CC1)CC2c1sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c2c1C
• InChI: InChI=1S/C27H33N5OS/c1-15(2)21-22-18(5)24(20-11-27(20)6-8-31(9-7-27)12-17(4)33)34-26(22)30-23(21)19-10-16(3)25-28-14-29-32(25)13-19/h10,13-15,20,30H,6-9,11-12H2,1-5H3
• InChIKey: ZQGFPVINCXXCJT-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.66
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one?

The IUPAC name of 1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one (CID 167605528) is 1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one.

What is the SMILES notation for 1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one?

The canonical SMILES for 1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one is CC(=O)CN1CCC2(CC1)CC2c1sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c2c1C.

What is the InChIKey of 1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one?

The InChIKey is ZQGFPVINCXXCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5OS/c1-15(2)21-22-18(5)24(20-11-27(20)6-8-31(9-7-27)12-17(4)33)34-26(22)30-23(21)19-10-16(3)25-28-14-29-32(25)13-19/h10,13-15,20,30H,6-9,11-12H2,1-5H3.

What are the key properties of 1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one?

1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one has a molecular weight of 475.66 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-methyl-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]-6-azaspiro[2.5]octan-6-yl]propan-2-one is sourced from PubChem (CID 167605528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).