2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H28N10O — CID 146528482

About 2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146528482) has the molecular formula C28H28N10O and a molecular weight of 520.60 g/mol. Its IUPAC name is 2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 146528482
• Molecular Formula: C28H28N10O
• Molecular Weight: 520.60 g/mol
• Exact Mass: 520.24
• IUPAC Name: 2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cc(C)[nH]n5)cn5nc(N)c(C#N)c45)cn3)CC2)cn1
• InChI: InChI=1S/C28H28N10O/c1-18-11-24(34-33-18)21-12-22(27-23(13-29)28(30)35-38(27)17-21)20-4-5-25(31-15-20)37-9-7-36(8-10-37)16-19-3-6-26(39-2)32-14-19/h3-6,11-12,14-15,17H,7-10,16H2,1-2H3,(H2,30,35)(H,33,34)
• InChIKey: ZGFLAHZFNONIJE-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 137.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.60
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146528482) is 2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2CCN(c3ccc(-c4cc(-c5cc(C)[nH]n5)cn5nc(N)c(C#N)c45)cn3)CC2)cn1.

What is the InChIKey of 2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is ZGFLAHZFNONIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N10O/c1-18-11-24(34-33-18)21-12-22(27-23(13-29)28(30)35-38(27)17-21)20-4-5-25(31-15-20)37-9-7-36(8-10-37)16-19-3-6-26(39-2)32-14-19/h3-6,11-12,14-15,17H,7-10,16H2,1-2H3,(H2,30,35)(H,33,34).

What are the key properties of 2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

2-amino-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 520.60 g/mol, XLogP of 3.27, 6 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-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146528482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).