N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide

C24H32N8O3S — CID 138686271

About N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide

N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide (PubChem CID 138686271) has the molecular formula C24H32N8O3S and a molecular weight of 512.64 g/mol. Its IUPAC name is N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide
• PubChem CID: 138686271
• Molecular Formula: C24H32N8O3S
• Molecular Weight: 512.64 g/mol
• Exact Mass: 512.23
• IUPAC Name: N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide
• SMILES: COc1cc(-c2[nH]c3ccc(N4CCN(CCNS(C)(=O)=O)CC4)nc3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C24H32N8O3S/c1-16(2)21-22(17-13-19(35-3)24-25-15-26-32(24)14-17)28-18-5-6-20(29-23(18)21)31-11-9-30(10-12-31)8-7-27-36(4,33)34/h5-6,13-16,27-28H,7-12H2,1-4H3
• InChIKey: CQWPZQYNYGVLGN-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 120.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.64
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide?

The IUPAC name of N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide (CID 138686271) is N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide.

What is the SMILES notation for N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide?

The canonical SMILES for N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide is COc1cc(-c2[nH]c3ccc(N4CCN(CCNS(C)(=O)=O)CC4)nc3c2C(C)C)cn2ncnc12.

What is the InChIKey of N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide?

The InChIKey is CQWPZQYNYGVLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O3S/c1-16(2)21-22(17-13-19(35-3)24-25-15-26-32(24)14-17)28-18-5-6-20(29-23(18)21)31-11-9-30(10-12-31)8-7-27-36(4,33)34/h5-6,13-16,27-28H,7-12H2,1-4H3.

What are the key properties of N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide?

N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide has a molecular weight of 512.64 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 138686271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).