5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide

C22H24N6O2 — CID 110219325

About 5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide

5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide (PubChem CID 110219325) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide
• PubChem CID: 110219325
• Molecular Formula: C22H24N6O2
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.20
• IUPAC Name: 5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide
• SMILES: CCCn1ncc(C(=O)Nc2ccc(C3NC(=O)c4cccnc4N3C)cc2)c1C
• InChI: InChI=1S/C22H24N6O2/c1-4-12-28-14(2)18(13-24-28)22(30)25-16-9-7-15(8-10-16)19-26-21(29)17-6-5-11-23-20(17)27(19)3/h5-11,13,19H,4,12H2,1-3H3,(H,25,30)(H,26,29)
• InChIKey: BDOJQLNXQNSCNP-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 92.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide?

The IUPAC name of 5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide (CID 110219325) is 5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide.

What is the SMILES notation for 5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide?

The canonical SMILES for 5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)Nc2ccc(C3NC(=O)c4cccnc4N3C)cc2)c1C.

What is the InChIKey of 5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide?

The InChIKey is BDOJQLNXQNSCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-4-12-28-14(2)18(13-24-28)22(30)25-16-9-7-15(8-10-16)19-26-21(29)17-6-5-11-23-20(17)27(19)3/h5-11,13,19H,4,12H2,1-3H3,(H,25,30)(H,26,29).

What are the key properties of 5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide?

5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[4-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 110219325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).