6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C33H31N7O2 — CID 162372018

About 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 162372018) has the molecular formula C33H31N7O2 and a molecular weight of 557.66 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 162372018
• Molecular Formula: C33H31N7O2
• Molecular Weight: 557.66 g/mol
• Exact Mass: 557.25
• IUPAC Name: 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: Cn1cc(-c2cc(-c3ccc(N4CCC(C#CCOCCOc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
• InChI: InChI=1S/C33H31N7O2/c1-38-23-29(22-36-38)27-18-31(33-28(19-34)21-37-40(33)24-27)26-9-10-32(35-20-26)39-13-11-25(12-14-39)6-5-15-41-16-17-42-30-7-3-2-4-8-30/h2-4,7-10,18,20-25H,11-17H2,1H3
• InChIKey: NTMOKQRHTYLWQY-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 93.50 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.66
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 162372018) is 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-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-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCC(C#CCOCCOc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.

What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is NTMOKQRHTYLWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N7O2/c1-38-23-29(22-36-38)27-18-31(33-28(19-34)21-37-40(33)24-27)26-9-10-32(35-20-26)39-13-11-25(12-14-39)6-5-15-41-16-17-42-30-7-3-2-4-8-30/h2-4,7-10,18,20-25H,11-17H2,1H3.

What are the key properties of 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 557.66 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylpyrazol-4-yl)-4-[6-[4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162372018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).