N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

C22H22N6OS — CID 42417526

About N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 42417526) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
• PubChem CID: 42417526
• Molecular Formula: C22H22N6OS
• Molecular Weight: 418.53 g/mol
• Exact Mass: 418.16
• IUPAC Name: N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
• SMILES: Cc1cccc(CNC(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C(C)C)n1
• InChI: InChI=1S/C22H22N6OS/c1-14(2)20-17(21(29)24-12-16-7-4-6-15(3)26-16)13-25-28(20)22-23-10-9-18(27-22)19-8-5-11-30-19/h4-11,13-14H,12H2,1-3H3,(H,24,29)
• InChIKey: JEELRIMPWVMXFZ-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.53
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?

The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 42417526) is N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?

The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is Cc1cccc(CNC(=O)c2cnn(-c3nccc(-c4cccs4)n3)c2C(C)C)n1.

What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?

The InChIKey is JEELRIMPWVMXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c1-14(2)20-17(21(29)24-12-16-7-4-6-15(3)26-16)13-25-28(20)22-23-10-9-18(27-22)19-8-5-11-30-19/h4-11,13-14H,12H2,1-3H3,(H,24,29).

What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?

N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 42417526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).