2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole

C23H23N5S — CID 143017598

About 2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole

2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole (PubChem CID 143017598) has the molecular formula C23H23N5S and a molecular weight of 401.54 g/mol. Its IUPAC name is 2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole
• PubChem CID: 143017598
• Molecular Formula: C23H23N5S
• Molecular Weight: 401.54 g/mol
• Exact Mass: 401.17
• IUPAC Name: 2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole
• SMILES: C=C(c1nc(-c2[nH]nc3c(C)cccc23)sc1-c1cccnc1)N1CCC(C)C1
• InChI: InChI=1S/C23H23N5S/c1-14-9-11-28(13-14)16(3)20-22(17-7-5-10-24-12-17)29-23(25-20)21-18-8-4-6-15(2)19(18)26-27-21/h4-8,10,12,14H,3,9,11,13H2,1-2H3,(H,26,27)
• InChIKey: SSKVHCSWTRTULK-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.54
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole?

The IUPAC name of 2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole (CID 143017598) is 2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole.

What is the SMILES notation for 2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole?

The canonical SMILES for 2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole is C=C(c1nc(-c2[nH]nc3c(C)cccc23)sc1-c1cccnc1)N1CCC(C)C1.

What is the InChIKey of 2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole?

The InChIKey is SSKVHCSWTRTULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5S/c1-14-9-11-28(13-14)16(3)20-22(17-7-5-10-24-12-17)29-23(25-20)21-18-8-4-6-15(2)19(18)26-27-21/h4-8,10,12,14H,3,9,11,13H2,1-2H3,(H,26,27).

What are the key properties of 2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole?

2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole has a molecular weight of 401.54 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-methyl-2H-indazol-3-yl)-4-[1-(3-methylpyrrolidin-1-yl)ethenyl]-5-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 143017598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).