1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine

C28H37N7 — CID 139473866

About 1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine

1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine (PubChem CID 139473866) has the molecular formula C28H37N7 and a molecular weight of 471.65 g/mol. Its IUPAC name is 1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine.

Molecular Properties

• Compound Name: 1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine
• PubChem CID: 139473866
• Molecular Formula: C28H37N7
• Molecular Weight: 471.65 g/mol
• Exact Mass: 471.31
• IUPAC Name: 1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine
• SMILES: Cc1cc(C)c(N2CCN(c3ccccn3)[C@@H](C)C2)c(C)c1NC1CCN(c2cccnn2)CC1
• InChI: InChI=1S/C28H37N7/c1-20-18-21(2)28(34-16-17-35(22(3)19-34)25-8-5-6-12-29-25)23(4)27(20)31-24-10-14-33(15-11-24)26-9-7-13-30-32-26/h5-9,12-13,18,22,24,31H,10-11,14-17,19H2,1-4H3/t22-/m0/s1
• InChIKey: UTIUAMYTVVIYMH-QFIPXVFZSA-N
• XLogP: 4.59
• TPSA: 60.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.65
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine?

The IUPAC name of 1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine (CID 139473866) is 1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine.

What is the SMILES notation for 1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine?

The canonical SMILES for 1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine is Cc1cc(C)c(N2CCN(c3ccccn3)[C@@H](C)C2)c(C)c1NC1CCN(c2cccnn2)CC1.

What is the InChIKey of 1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine?

The InChIKey is UTIUAMYTVVIYMH-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H37N7/c1-20-18-21(2)28(34-16-17-35(22(3)19-34)25-8-5-6-12-29-25)23(4)27(20)31-24-10-14-33(15-11-24)26-9-7-13-30-32-26/h5-9,12-13,18,22,24,31H,10-11,14-17,19H2,1-4H3/t22-/m0/s1.

What are the key properties of 1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine?

1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine has a molecular weight of 471.65 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-pyridazin-3-yl-N-[2,4,6-trimethyl-3-[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]phenyl]piperidin-4-amine is sourced from PubChem (CID 139473866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).