1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C30H27N7O3 — CID 70214363

About 1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 70214363) has the molecular formula C30H27N7O3 and a molecular weight of 533.59 g/mol. Its IUPAC name is 1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• PubChem CID: 70214363
• Molecular Formula: C30H27N7O3
• Molecular Weight: 533.59 g/mol
• Exact Mass: 533.22
• IUPAC Name: 1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
• SMILES: CC(=O)c1c(C2CCN(C(=O)c3ncccc3O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N
• InChI: InChI=1S/C30H27N7O3/c1-18(38)25-26(20-11-14-36(15-12-20)30(40)27-24(39)8-5-13-32-27)35-29-22(17-34-37(29)28(25)31)21-9-10-23(33-16-21)19-6-3-2-4-7-19/h2-10,13,16-17,20,39H,11-12,14-15,31H2,1H3
• InChIKey: KHMUSYRYQZXCOM-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 139.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.59
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The IUPAC name of 1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 70214363) is 1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

What is the SMILES notation for 1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The canonical SMILES for 1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(C2CCN(C(=O)c3ncccc3O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.

What is the InChIKey of 1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

The InChIKey is KHMUSYRYQZXCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7O3/c1-18(38)25-26(20-11-14-36(15-12-20)30(40)27-24(39)8-5-13-32-27)35-29-22(17-34-37(29)28(25)31)21-9-10-23(33-16-21)19-6-3-2-4-7-19/h2-10,13,16-17,20,39H,11-12,14-15,31H2,1H3.

What are the key properties of 1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?

1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 533.59 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-amino-5-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 70214363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).