4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one

C29H28N8O4 — CID 90706078

About 4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one

4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 90706078) has the molecular formula C29H28N8O4 and a molecular weight of 552.60 g/mol. Its IUPAC name is 4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

Molecular Properties

• Compound Name: 4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• PubChem CID: 90706078
• Molecular Formula: C29H28N8O4
• Molecular Weight: 552.60 g/mol
• Exact Mass: 552.22
• IUPAC Name: 4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one
• SMILES: CC(=O)c1c(C2CCN(C(=O)Cc3[nH]c(=O)[nH]c3O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
• InChI: InChI=1S/C29H28N8O4/c1-16(38)24-25(18-9-11-36(12-10-18)23(39)13-22-28(40)35-29(41)33-22)34-27-20(15-32-37(27)26(24)30)19-7-8-21(31-14-19)17-5-3-2-4-6-17/h2-8,14-15,18,40H,9-13,30H2,1H3,(H2,33,35,41)
• InChIKey: LSGGQSKQPZQZOE-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 175.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.60
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The IUPAC name of 4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 90706078) is 4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one.

What is the SMILES notation for 4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The canonical SMILES for 4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one is CC(=O)c1c(C2CCN(C(=O)Cc3[nH]c(=O)[nH]c3O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.

What is the InChIKey of 4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

The InChIKey is LSGGQSKQPZQZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8O4/c1-16(38)24-25(18-9-11-36(12-10-18)23(39)13-22-28(40)35-29(41)33-22)34-27-20(15-32-37(27)26(24)30)19-7-8-21(31-14-19)17-5-3-2-4-6-17/h2-8,14-15,18,40H,9-13,30H2,1H3,(H2,33,35,41).

What are the key properties of 4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one?

4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 552.60 g/mol, XLogP of 2.91, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-oxoethyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 90706078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).