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

C29H27ClN8O — CID 126740168

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

4-[6-[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740168) has the molecular formula C29H27ClN8O and a molecular weight of 539.04 g/mol. Its IUPAC name is 4-[6-[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-[6-[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 126740168
• Molecular Formula: C29H27ClN8O
• Molecular Weight: 539.04 g/mol
• Exact Mass: 538.20
• IUPAC Name: 4-[6-[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCN(C[C@H](O)c5cccc(Cl)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C29H27ClN8O/c1-35-17-24(16-33-35)22-12-26(29-23(13-31)15-34-38(29)18-22)21-5-6-28(32-14-21)37-9-7-36(8-10-37)19-27(39)20-3-2-4-25(30)11-20/h2-6,11-12,14-18,27,39H,7-10,19H2,1H3/t27-/m0/s1
• InChIKey: RNGQJYDRUSTBTD-MHZLTWQESA-N
• XLogP: 4.18
• TPSA: 98.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.04
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-[6-[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740168) is 4-[6-[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

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

The canonical SMILES for 4-[6-[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C[C@H](O)c5cccc(Cl)c5)CC4)nc3)c3c(C#N)cnn3c2)cn1.

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

The InChIKey is RNGQJYDRUSTBTD-MHZLTWQESA-N. The full InChI is InChI=1S/C29H27ClN8O/c1-35-17-24(16-33-35)22-12-26(29-23(13-31)15-34-38(29)18-22)21-5-6-28(32-14-21)37-9-7-36(8-10-37)19-27(39)20-3-2-4-25(30)11-20/h2-6,11-12,14-18,27,39H,7-10,19H2,1H3/t27-/m0/s1.

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

4-[6-[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 539.04 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).