(6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

C25H29N7O2 — CID 122346966

About (6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

(6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122346966) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is (6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 122346966
• Molecular Formula: C25H29N7O2
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.24
• IUPAC Name: (6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4ccc(OC5CCCC5)nc4)CC3)nn2)c1
• InChI: InChI=1S/C25H29N7O2/c1-18-10-11-26-22(16-18)28-21-7-8-23(30-29-21)31-12-14-32(15-13-31)25(33)19-6-9-24(27-17-19)34-20-4-2-3-5-20/h6-11,16-17,20H,2-5,12-15H2,1H3,(H,26,28,29)
• InChIKey: GULGPMSZJITCHO-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 96.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (CID 122346966) is (6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

What is the SMILES notation for (6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The canonical SMILES for (6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is Cc1ccnc(Nc2ccc(N3CCN(C(=O)c4ccc(OC5CCCC5)nc4)CC3)nn2)c1.

What is the InChIKey of (6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

The InChIKey is GULGPMSZJITCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-18-10-11-26-22(16-18)28-21-7-8-23(30-29-21)31-12-14-32(15-13-31)25(33)19-6-9-24(27-17-19)34-20-4-2-3-5-20/h6-11,16-17,20H,2-5,12-15H2,1H3,(H,26,28,29).

What are the key properties of (6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone?

(6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 459.55 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6-cyclopentyloxy-3-pyridinyl)-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122346966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).