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

C24H18N6OS — CID 108748742

About 5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide

5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 108748742) has the molecular formula C24H18N6OS and a molecular weight of 438.52 g/mol. Its IUPAC name is 5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
• PubChem CID: 108748742
• Molecular Formula: C24H18N6OS
• Molecular Weight: 438.52 g/mol
• Exact Mass: 438.13
• IUPAC Name: 5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
• SMILES: Cc1c(C(=O)Nc2cccc(-c3csc(-c4ccncc4)n3)c2)cnn1-c1ccccn1
• InChI: InChI=1S/C24H18N6OS/c1-16-20(14-27-30(16)22-7-2-3-10-26-22)23(31)28-19-6-4-5-18(13-19)21-15-32-24(29-21)17-8-11-25-12-9-17/h2-15H,1H3,(H,28,31)
• InChIKey: XINFWBJRIJMKGJ-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.52
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide?

The IUPAC name of 5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide (CID 108748742) is 5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(-c3csc(-c4ccncc4)n3)c2)cnn1-c1ccccn1.

What is the InChIKey of 5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide?

The InChIKey is XINFWBJRIJMKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6OS/c1-16-20(14-27-30(16)22-7-2-3-10-26-22)23(31)28-19-6-4-5-18(13-19)21-15-32-24(29-21)17-8-11-25-12-9-17/h2-15H,1H3,(H,28,31).

What are the key properties of 5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide?

5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 108748742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).