4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

C20H27N5O2 — CID 92588150

About 4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 92588150) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
• PubChem CID: 92588150
• Molecular Formula: C20H27N5O2
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.22
• IUPAC Name: 4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
• SMILES: CCc1nn(C)c(C(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)c1C
• InChI: InChI=1S/C20H27N5O2/c1-4-15-13(2)19(23(3)22-15)20(27)24-9-5-7-14(12-24)16-11-18(26)21-17-8-6-10-25(16)17/h11,14H,4-10,12H2,1-3H3/t14-/m0/s1
• InChIKey: FSZKNDCUTZCCFY-AWEZNQCLSA-N
• XLogP: 1.81
• TPSA: 73.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?

The IUPAC name of 4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one (CID 92588150) is 4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one.

What is the SMILES notation for 4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?

The canonical SMILES for 4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is CCc1nn(C)c(C(=O)N2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)c1C.

What is the InChIKey of 4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?

The InChIKey is FSZKNDCUTZCCFY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-15-13(2)19(23(3)22-15)20(27)24-9-5-7-14(12-24)16-11-18(26)21-17-8-6-10-25(16)17/h11,14H,4-10,12H2,1-3H3/t14-/m0/s1.

What are the key properties of 4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one?

4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S)-1-(5-ethyl-2,4-dimethylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 92588150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).