3-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide

C22H24N6O2 — CID 95807788

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

3-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide (PubChem CID 95807788) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide
• PubChem CID: 95807788
• Molecular Formula: C22H24N6O2
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.20
• IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide
• SMILES: Cc1cc(C)n(CCC(=O)Nc2ccccc2[C@@H]2NC(=O)c3cccnc3N2C)n1
• InChI: InChI=1S/C22H24N6O2/c1-14-13-15(2)28(26-14)12-10-19(29)24-18-9-5-4-7-16(18)21-25-22(30)17-8-6-11-23-20(17)27(21)3/h4-9,11,13,21H,10,12H2,1-3H3,(H,24,29)(H,25,30)/t21-/m1/s1
• InChIKey: PLGQTLRBKWJVJY-OAQYLSRUSA-N
• XLogP: 2.80
• 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	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide (CID 95807788) is 3-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide.

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

The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide is Cc1cc(C)n(CCC(=O)Nc2ccccc2[C@@H]2NC(=O)c3cccnc3N2C)n1.

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

The InChIKey is PLGQTLRBKWJVJY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14-13-15(2)28(26-14)12-10-19(29)24-18-9-5-4-7-16(18)21-25-22(30)17-8-6-11-23-20(17)27(21)3/h4-9,11,13,21H,10,12H2,1-3H3,(H,24,29)(H,25,30)/t21-/m1/s1.

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

3-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide has a molecular weight of 404.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide is sourced from PubChem (CID 95807788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).