2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one

C19H20N6O2 — CID 136763573

About 2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one

2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one (PubChem CID 136763573) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
• PubChem CID: 136763573
• Molecular Formula: C19H20N6O2
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.16
• IUPAC Name: 2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
• SMILES: Cc1cnn(CC(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1
• InChI: InChI=1S/C19H20N6O2/c1-13-8-21-25(10-13)12-18(27)24-6-4-15(11-24)19-22-16(7-17(26)23-19)14-3-2-5-20-9-14/h2-3,5,7-10,15H,4,6,11-12H2,1H3,(H,22,23,26)/t15-/m0/s1
• InChIKey: QZMVHVOPHHTDOY-HNNXBMFYSA-N
• XLogP: 1.35
• TPSA: 96.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?

The IUPAC name of 2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one (CID 136763573) is 2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one.

What is the SMILES notation for 2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?

The canonical SMILES for 2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one is Cc1cnn(CC(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1.

What is the InChIKey of 2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?

The InChIKey is QZMVHVOPHHTDOY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-13-8-21-25(10-13)12-18(27)24-6-4-15(11-24)19-22-16(7-17(26)23-19)14-3-2-5-20-9-14/h2-3,5,7-10,15H,4,6,11-12H2,1H3,(H,22,23,26)/t15-/m0/s1.

What are the key properties of 2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one?

2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one has a molecular weight of 364.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136763573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).