2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C56H55N19O2 — CID 163631723

About 2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 163631723) has the molecular formula C56H55N19O2 and a molecular weight of 1026.19 g/mol. Its IUPAC name is 2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 163631723
• Molecular Formula: C56H55N19O2
• Molecular Weight: 1026.19 g/mol
• Exact Mass: 1025.48
• IUPAC Name: 2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccccc5)C(=O)C4)nc3)c3c(C#N)c(N)nn3c2)cn1.[H]/N=C(\C=C(C)N)c1cc(-c2ccc(N3CCN(Cc4ccc(OC)nc4)CC3)nc2)c2c(C#N)c(N)nn2c1
• InChI: InChI=1S/C28H30N10O.C28H25N9O/c1-18(30)11-24(31)21-12-22(27-23(13-29)28(32)35-38(27)17-21)20-4-5-25(33-15-20)37-9-7-36(8-10-37)16-19-3-6-26(39-2)34-14-19;1-34-16-22(14-32-34)21-11-23(27-24(12-29)28(30)33-37(27)17-21)20-7-8-25(31-13-20)35-9-10-36(26(38)18-35)15-19-5-3-2-4-6-19/h3-6,11-12,14-15,17,31H,7-10,16,30H2,1-2H3,(H2,32,35);2-8,11,13-14,16-17H,9-10,15,18H2,1H3,(H2,30,33)/b18-11?,31-24+
• InChIKey: QGRQMWDQNCFHAV-XMRJHODESA-N
• XLogP: 5.91
• TPSA: 279.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1026.19
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 163631723) is 2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccccc5)C(=O)C4)nc3)c3c(C#N)c(N)nn3c2)cn1.[H]/N=C(\C=C(C)N)c1cc(-c2ccc(N3CCN(Cc4ccc(OC)nc4)CC3)nc2)c2c(C#N)c(N)nn2c1.

What is the InChIKey of 2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is QGRQMWDQNCFHAV-XMRJHODESA-N. The full InChI is InChI=1S/C28H30N10O.C28H25N9O/c1-18(30)11-24(31)21-12-22(27-23(13-29)28(32)35-38(27)17-21)20-4-5-25(33-15-20)37-9-7-36(8-10-37)16-19-3-6-26(39-2)34-14-19;1-34-16-22(14-32-34)21-11-23(27-24(12-29)28(30)33-37(27)17-21)20-7-8-25(31-13-20)35-9-10-36(26(38)18-35)15-19-5-3-2-4-6-19/h3-6,11-12,14-15,17,31H,7-10,16,30H2,1-2H3,(H2,32,35);2-8,11,13-14,16-17H,9-10,15,18H2,1H3,(H2,30,33)/b18-11?,31-24+;.

What are the key properties of 2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?

2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1026.19 g/mol, XLogP of 5.91, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-(3-aminobut-2-enimidoyl)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2-amino-4-[6-(4-benzyl-3-oxopiperazin-1-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 163631723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).