1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide

C24H22N8OS — CID 154850983

About 1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide

1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 154850983) has the molecular formula C24H22N8OS and a molecular weight of 470.56 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
• PubChem CID: 154850983
• Molecular Formula: C24H22N8OS
• Molecular Weight: 470.56 g/mol
• Exact Mass: 470.16
• IUPAC Name: 1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
• SMILES: N#Cc1cccc(-n2ccc(C(=O)Nc3nc(CN4CCN(c5ccccn5)CC4)cs3)n2)c1
• InChI: InChI=1S/C24H22N8OS/c25-15-18-4-3-5-20(14-18)32-9-7-21(29-32)23(33)28-24-27-19(17-34-24)16-30-10-12-31(13-11-30)22-6-1-2-8-26-22/h1-9,14,17H,10-13,16H2,(H,27,28,33)
• InChIKey: LUAPKGXYVZVXDK-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 102.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.56
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?

The IUPAC name of 1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 154850983) is 1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?

The canonical SMILES for 1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide is N#Cc1cccc(-n2ccc(C(=O)Nc3nc(CN4CCN(c5ccccn5)CC4)cs3)n2)c1.

What is the InChIKey of 1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?

The InChIKey is LUAPKGXYVZVXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8OS/c25-15-18-4-3-5-20(14-18)32-9-7-21(29-32)23(33)28-24-27-19(17-34-24)16-30-10-12-31(13-11-30)22-6-1-2-8-26-22/h1-9,14,17H,10-13,16H2,(H,27,28,33).

What are the key properties of 1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide?

1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 154850983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).