1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide

C22H22N6O2 — CID 29218647

About 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide

1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 29218647) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 29218647
• Molecular Formula: C22H22N6O2
• Molecular Weight: 402.46 g/mol
• Exact Mass: 402.18
• IUPAC Name: 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
• SMILES: Cc1cccc(CNC(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C(C)C)n1
• InChI: InChI=1S/C22H22N6O2/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: OKWHGRGFZOOPEC-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 98.73 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	402.46
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 29218647) is 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide is Cc1cccc(CNC(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C(C)C)n1.

What is the InChIKey of 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is OKWHGRGFZOOPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/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 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide?

1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 29218647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).