2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H27N9O2 — CID 146528469

About 2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146528469) has the molecular formula C29H27N9O2 and a molecular weight of 533.60 g/mol. Its IUPAC name is 2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146528469
• Molecular Formula: C29H27N9O2
• Molecular Weight: 533.60 g/mol
• Exact Mass: 533.23
• IUPAC Name: 2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1ccc(-c2cc(-c3ccc(N4CCN(C(=O)[C@H](O)c5ccccc5)CC4)nc3)c3c(C#N)c(N)nn3c2)n1
• InChI: InChI=1S/C29H27N9O2/c1-35-10-9-24(33-35)21-15-22(26-23(16-30)28(31)34-38(26)18-21)20-7-8-25(32-17-20)36-11-13-37(14-12-36)29(40)27(39)19-5-3-2-4-6-19/h2-10,15,17-18,27,39H,11-14H2,1H3,(H2,31,34)/t27-/m1/s1
• InChIKey: KAZWOJWRSWRRQK-HHHXNRCGSA-N
• XLogP: 2.63
• TPSA: 141.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.60
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146528469) is 2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1ccc(-c2cc(-c3ccc(N4CCN(C(=O)[C@H](O)c5ccccc5)CC4)nc3)c3c(C#N)c(N)nn3c2)n1.

What is the InChIKey of 2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is KAZWOJWRSWRRQK-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H27N9O2/c1-35-10-9-24(33-35)21-15-22(26-23(16-30)28(31)34-38(26)18-21)20-7-8-25(32-17-20)36-11-13-37(14-12-36)29(40)27(39)19-5-3-2-4-6-19/h2-10,15,17-18,27,39H,11-14H2,1H3,(H2,31,34)/t27-/m1/s1.

What are the key properties of 2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 533.60 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146528469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).