2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one

C21H21N5O — CID 146546242

About 2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one

2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one (PubChem CID 146546242) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one
• PubChem CID: 146546242
• Molecular Formula: C21H21N5O
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.17
• IUPAC Name: 2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one
• SMILES: Cc1cc(-c2cc(-c3ccc4c(c3)CN([C@@H](C)C3CC3)C4=O)cnn2)n[nH]1
• InChI: InChI=1S/C21H21N5O/c1-12-7-19(25-23-12)20-9-16(10-22-24-20)15-5-6-18-17(8-15)11-26(21(18)27)13(2)14-3-4-14/h5-10,13-14H,3-4,11H2,1-2H3,(H,23,25)/t13-/m0/s1
• InChIKey: URVHTJNZTFBDKB-ZDUSSCGKSA-N
• XLogP: 3.60
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one?

The IUPAC name of 2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one (CID 146546242) is 2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one.

What is the SMILES notation for 2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one?

The canonical SMILES for 2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one is Cc1cc(-c2cc(-c3ccc4c(c3)CN([C@@H](C)C3CC3)C4=O)cnn2)n[nH]1.

What is the InChIKey of 2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one?

The InChIKey is URVHTJNZTFBDKB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H21N5O/c1-12-7-19(25-23-12)20-9-16(10-22-24-20)15-5-6-18-17(8-15)11-26(21(18)27)13(2)14-3-4-14/h5-10,13-14H,3-4,11H2,1-2H3,(H,23,25)/t13-/m0/s1.

What are the key properties of 2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one?

2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one has a molecular weight of 359.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-cyclopropylethyl]-5-[6-(5-methyl-1H-pyrazol-3-yl)pyridazin-4-yl]-3H-isoindol-1-one is sourced from PubChem (CID 146546242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).