[(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate

C33H43N7O3 — CID 155271538

About [(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate

[(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate (PubChem CID 155271538) has the molecular formula C33H43N7O3 and a molecular weight of 585.75 g/mol. Its IUPAC name is [(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate.

Molecular Properties

• Compound Name: [(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate
• PubChem CID: 155271538
• Molecular Formula: C33H43N7O3
• Molecular Weight: 585.75 g/mol
• Exact Mass: 585.34
• IUPAC Name: [(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate
• SMILES: Cc1c(-c2c(C(C)C)c3cc(C4CCN(CC(N)=O)CC4)ccc3n2C(=O)OC[C@@H]2CCCCN2)cn2ncnc2c1C
• InChI: InChI=1S/C33H43N7O3/c1-20(2)30-26-15-24(23-10-13-38(14-11-23)17-29(34)41)8-9-28(26)40(33(42)43-18-25-7-5-6-12-35-25)31(30)27-16-39-32(36-19-37-39)22(4)21(27)3/h8-9,15-16,19-20,23,25,35H,5-7,10-14,17-18H2,1-4H3,(H2,34,41)/t25-/m0/s1
• InChIKey: PMPJPSMPDYDQQZ-VWLOTQADSA-N
• XLogP: 4.88
• TPSA: 119.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.75
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate?

The IUPAC name of [(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate (CID 155271538) is [(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate.

What is the SMILES notation for [(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate?

The canonical SMILES for [(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate is Cc1c(-c2c(C(C)C)c3cc(C4CCN(CC(N)=O)CC4)ccc3n2C(=O)OC[C@@H]2CCCCN2)cn2ncnc2c1C.

What is the InChIKey of [(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate?

The InChIKey is PMPJPSMPDYDQQZ-VWLOTQADSA-N. The full InChI is InChI=1S/C33H43N7O3/c1-20(2)30-26-15-24(23-10-13-38(14-11-23)17-29(34)41)8-9-28(26)40(33(42)43-18-25-7-5-6-12-35-25)31(30)27-16-39-32(36-19-37-39)22(4)21(27)3/h8-9,15-16,19-20,23,25,35H,5-7,10-14,17-18H2,1-4H3,(H2,34,41)/t25-/m0/s1.

What are the key properties of [(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate?

[(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate has a molecular weight of 585.75 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-piperidin-2-yl]methyl 5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-ylindole-1-carboxylate is sourced from PubChem (CID 155271538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).