2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine

C25H20N4 — CID 71611491

IUPAC2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(C#Cc3cccc(C4CC4)n3)cc2)n1
InChIInChI=1S/C25H20N4/c1-29-17-23(19-13-15-26-16-14-19)25(28-29)21-8-5-18(6-9-21)7-12-22-3-2-4-24(27-22)20-10-11-20/h2-6,8-9,13-17,20H,10-11H2,1H3
InChIKeyXLWPHTFCHOKQCR-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.82
Rot. Bonds3

About 2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine

2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine (PubChem CID 71611491) has the molecular formula C25H20N4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine
PubChem CID71611491
Molecular FormulaC25H20N4
Molecular Weight376.46 g/mol
Exact Mass376.17
IUPAC Name2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine
SMILESCn1cc(-c2ccncc2)c(-c2ccc(C#Cc3cccc(C4CC4)n3)cc2)n1
InChIInChI=1S/C25H20N4/c1-29-17-23(19-13-15-26-16-14-19)25(28-29)21-8-5-18(6-9-21)7-12-22-3-2-4-24(27-22)20-10-11-20/h2-6,8-9,13-17,20H,10-11H2,1H3
InChIKeyXLWPHTFCHOKQCR-UHFFFAOYSA-N
XLogP4.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine?
The IUPAC name of 2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine (CID 71611491) is 2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine.
What is the SMILES notation for 2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine?
The canonical SMILES for 2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine is Cn1cc(-c2ccncc2)c(-c2ccc(C#Cc3cccc(C4CC4)n3)cc2)n1.
What is the InChIKey of 2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine?
The InChIKey is XLWPHTFCHOKQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4/c1-29-17-23(19-13-15-26-16-14-19)25(28-29)21-8-5-18(6-9-21)7-12-22-3-2-4-24(27-22)20-10-11-20/h2-6,8-9,13-17,20H,10-11H2,1H3.
What are the key properties of 2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine?
2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine has a molecular weight of 376.46 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[2-[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]ethynyl]pyridine is sourced from PubChem (CID 71611491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).