2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one

C16H21N7O2 — CID 95872297

About 2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one

2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 95872297) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one
• PubChem CID: 95872297
• Molecular Formula: C16H21N7O2
• Molecular Weight: 343.39 g/mol
• Exact Mass: 343.18
• IUPAC Name: 2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one
• SMILES: Cn1ncc(N2CCN(C(=O)[C@H]3NCCc4[nH]cnc43)CC2)cc1=O
• InChI: InChI=1S/C16H21N7O2/c1-21-13(24)8-11(9-20-21)22-4-6-23(7-5-22)16(25)15-14-12(2-3-17-15)18-10-19-14/h8-10,15,17H,2-7H2,1H3,(H,18,19)/t15-/m0/s1
• InChIKey: VSQKSFFSXKJMJP-HNNXBMFYSA-N
• XLogP: -0.96
• TPSA: 99.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.39
LogP ≤ 5	-0.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one?

The IUPAC name of 2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one (CID 95872297) is 2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one.

What is the SMILES notation for 2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one?

The canonical SMILES for 2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one is Cn1ncc(N2CCN(C(=O)[C@H]3NCCc4[nH]cnc43)CC2)cc1=O.

What is the InChIKey of 2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one?

The InChIKey is VSQKSFFSXKJMJP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-21-13(24)8-11(9-20-21)22-4-6-23(7-5-22)16(25)15-14-12(2-3-17-15)18-10-19-14/h8-10,15,17H,2-7H2,1H3,(H,18,19)/t15-/m0/s1.

What are the key properties of 2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one?

2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 343.39 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[4-[(4S)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carbonyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 95872297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).