(2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone

C24H25N5O — CID 121070988

About (2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone

(2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone (PubChem CID 121070988) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
• PubChem CID: 121070988
• Molecular Formula: C24H25N5O
• Molecular Weight: 399.50 g/mol
• Exact Mass: 399.21
• IUPAC Name: (2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
• SMILES: CC1Cc2ccccc2N1C(=O)C1CCCN(c2ccc(-c3cccnc3)nn2)C1
• InChI: InChI=1S/C24H25N5O/c1-17-14-18-6-2-3-9-22(18)29(17)24(30)20-8-5-13-28(16-20)23-11-10-21(26-27-23)19-7-4-12-25-15-19/h2-4,6-7,9-12,15,17,20H,5,8,13-14,16H2,1H3
• InChIKey: LJXNCRLFMBOXJF-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.50
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone?

The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone (CID 121070988) is (2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone.

What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone?

The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone is CC1Cc2ccccc2N1C(=O)C1CCCN(c2ccc(-c3cccnc3)nn2)C1.

What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone?

The InChIKey is LJXNCRLFMBOXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-17-14-18-6-2-3-9-22(18)29(17)24(30)20-8-5-13-28(16-20)23-11-10-21(26-27-23)19-7-4-12-25-15-19/h2-4,6-7,9-12,15,17,20H,5,8,13-14,16H2,1H3.

What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone?

(2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone has a molecular weight of 399.50 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-2,3-dihydroindol-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 121070988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).