[4-[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]piperidin-1-yl]-piperazin-1-ylmethanone

C27H35N7OS — CID 166052684

About [4-[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]piperidin-1-yl]-piperazin-1-ylmethanone

[4-[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]piperidin-1-yl]-piperazin-1-ylmethanone (PubChem CID 166052684) has the molecular formula C27H35N7OS and a molecular weight of 505.69 g/mol. Its IUPAC name is [4-[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]piperidin-1-yl]-piperazin-1-ylmethanone.

Molecular Properties

• Compound Name: [4-[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]piperidin-1-yl]-piperazin-1-ylmethanone
• PubChem CID: 166052684
• Molecular Formula: C27H35N7OS
• Molecular Weight: 505.69 g/mol
• Exact Mass: 505.26
• IUPAC Name: [4-[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]piperidin-1-yl]-piperazin-1-ylmethanone
• SMILES: Cc1c(C2CCN(C(=O)N3CCNCC3)CC2)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12
• InChI: InChI=1S/C27H35N7OS/c1-16(2)21-22-18(4)24(19-5-9-32(10-6-19)27(35)33-11-7-28-8-12-33)36-26(22)31-23(21)20-13-17(3)25-29-15-30-34(25)14-20/h13-16,19,28,31H,5-12H2,1-4H3
• InChIKey: KETFCIFGDVUUGA-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 81.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.69
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[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]piperidin-1-yl]-piperazin-1-ylmethanone?

The IUPAC name of [4-[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]piperidin-1-yl]-piperazin-1-ylmethanone (CID 166052684) is [4-[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]piperidin-1-yl]-piperazin-1-ylmethanone.

What is the SMILES notation for [4-[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]piperidin-1-yl]-piperazin-1-ylmethanone?

The canonical SMILES for [4-[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]piperidin-1-yl]-piperazin-1-ylmethanone is Cc1c(C2CCN(C(=O)N3CCNCC3)CC2)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.

What is the InChIKey of [4-[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]piperidin-1-yl]-piperazin-1-ylmethanone?

The InChIKey is KETFCIFGDVUUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7OS/c1-16(2)21-22-18(4)24(19-5-9-32(10-6-19)27(35)33-11-7-28-8-12-33)36-26(22)31-23(21)20-13-17(3)25-29-15-30-34(25)14-20/h13-16,19,28,31H,5-12H2,1-4H3.

What are the key properties of [4-[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]piperidin-1-yl]-piperazin-1-ylmethanone?

[4-[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]piperidin-1-yl]-piperazin-1-ylmethanone has a molecular weight of 505.69 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[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]piperidin-1-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 166052684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).