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

C26H31N11 — CID 156900650

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

2-amino-6-(1-methylpyrazol-4-yl)-4-[6-[4-(piperazin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 156900650) has the molecular formula C26H31N11 and a molecular weight of 497.61 g/mol. Its IUPAC name is 2-amino-6-(1-methylpyrazol-4-yl)-4-[6-[4-(piperazin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-6-(1-methylpyrazol-4-yl)-4-[6-[4-(piperazin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 156900650
• Molecular Formula: C26H31N11
• Molecular Weight: 497.61 g/mol
• Exact Mass: 497.28
• IUPAC Name: 2-amino-6-(1-methylpyrazol-4-yl)-4-[6-[4-(piperazin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCN(CC5CNCCN5)CC4)nc3)c3c(C#N)c(N)nn3c2)cn1
• InChI: InChI=1S/C26H31N11/c1-34-15-20(13-32-34)19-10-22(25-23(11-27)26(28)33-37(25)16-19)18-2-3-24(31-12-18)36-8-6-35(7-9-36)17-21-14-29-4-5-30-21/h2-3,10,12-13,15-16,21,29-30H,4-9,14,17H2,1H3,(H2,28,33)
• InChIKey: TWSJRGODYAPJSM-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 128.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.61
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-amino-6-(1-methylpyrazol-4-yl)-4-[6-[4-(piperazin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 156900650) is 2-amino-6-(1-methylpyrazol-4-yl)-4-[6-[4-(piperazin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 2-amino-6-(1-methylpyrazol-4-yl)-4-[6-[4-(piperazin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(CC5CNCCN5)CC4)nc3)c3c(C#N)c(N)nn3c2)cn1.

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

The InChIKey is TWSJRGODYAPJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N11/c1-34-15-20(13-32-34)19-10-22(25-23(11-27)26(28)33-37(25)16-19)18-2-3-24(31-12-18)36-8-6-35(7-9-36)17-21-14-29-4-5-30-21/h2-3,10,12-13,15-16,21,29-30H,4-9,14,17H2,1H3,(H2,28,33).

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

2-amino-6-(1-methylpyrazol-4-yl)-4-[6-[4-(piperazin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 497.61 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-(1-methylpyrazol-4-yl)-4-[6-[4-(piperazin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 156900650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).