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

C29H26F3N9O — CID 126740224

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

6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740224) has the molecular formula C29H26F3N9O and a molecular weight of 573.58 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 126740224
• Molecular Formula: C29H26F3N9O
• Molecular Weight: 573.58 g/mol
• Exact Mass: 573.22
• IUPAC Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(OCC(F)(F)F)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C29H26F3N9O/c1-38-17-24(15-36-38)22-10-25(28-23(11-33)14-37-41(28)18-22)21-3-4-26(34-13-21)40-8-6-39(7-9-40)16-20-2-5-27(35-12-20)42-19-29(30,31)32/h2-5,10,12-15,17-18H,6-9,16,19H2,1H3
• InChIKey: ZCVYPJBVBKOVEI-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 100.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.58
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740224) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccc(OCC(F)(F)F)nc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.

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

The InChIKey is ZCVYPJBVBKOVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N9O/c1-38-17-24(15-36-38)22-10-25(28-23(11-33)14-37-41(28)18-22)21-3-4-26(34-13-21)40-8-6-39(7-9-40)16-20-2-5-27(35-12-20)42-19-29(30,31)32/h2-5,10,12-15,17-18H,6-9,16,19H2,1H3.

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

6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 573.58 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).