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

C30H34N6O5 — CID 70216319

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

1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one (PubChem CID 70216319) has the molecular formula C30H34N6O5 and a molecular weight of 558.64 g/mol. Its IUPAC name is 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one
• PubChem CID: 70216319
• Molecular Formula: C30H34N6O5
• Molecular Weight: 558.64 g/mol
• Exact Mass: 558.26
• IUPAC Name: 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one
• SMILES: COCC(O)(COC)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1
• InChI: InChI=1S/C30H34N6O5/c1-19(37)25-26(21-11-13-35(14-12-21)29(38)30(39,17-40-2)18-41-3)34-28-23(16-33-36(28)27(25)31)22-9-10-24(32-15-22)20-7-5-4-6-8-20/h4-10,15-16,21,39H,11-14,17-18,31H2,1-3H3
• InChIKey: DCWQJSLRVHSBLE-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 145.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.64
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one (CID 70216319) is 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one.

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

The canonical SMILES for 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one is COCC(O)(COC)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1.

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

The InChIKey is DCWQJSLRVHSBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O5/c1-19(37)25-26(21-11-13-35(14-12-21)29(38)30(39,17-40-2)18-41-3)34-28-23(16-33-36(28)27(25)31)22-9-10-24(32-15-22)20-7-5-4-6-8-20/h4-10,15-16,21,39H,11-14,17-18,31H2,1-3H3.

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

1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one has a molecular weight of 558.64 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one is sourced from PubChem (CID 70216319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).