6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine

C19H27FN4 — CID 166511087

IUPAC6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine
SMILESCCc1ccc(-c2c(C(C)C)cnn2C2CCN(C)CC2)c(F)n1
InChIInChI=1S/C19H27FN4/c1-5-14-6-7-16(19(20)22-14)18-17(13(2)3)12-21-24(18)15-8-10-23(4)11-9-15/h6-7,12-13,15H,5,8-11H2,1-4H3
InChIKeyRZCGSZMGCUYOSN-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.04
Rot. Bonds4

About 6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine

6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine (PubChem CID 166511087) has the molecular formula C19H27FN4 and a molecular weight of 330.45 g/mol. Its IUPAC name is 6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine.

Molecular Properties

Compound Name6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine
PubChem CID166511087
Molecular FormulaC19H27FN4
Molecular Weight330.45 g/mol
Exact Mass330.22
IUPAC Name6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine
SMILESCCc1ccc(-c2c(C(C)C)cnn2C2CCN(C)CC2)c(F)n1
InChIInChI=1S/C19H27FN4/c1-5-14-6-7-16(19(20)22-14)18-17(13(2)3)12-21-24(18)15-8-10-23(4)11-9-15/h6-7,12-13,15H,5,8-11H2,1-4H3
InChIKeyRZCGSZMGCUYOSN-UHFFFAOYSA-N
XLogP4.04
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine?
The IUPAC name of 6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine (CID 166511087) is 6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine.
What is the SMILES notation for 6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine?
The canonical SMILES for 6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine is CCc1ccc(-c2c(C(C)C)cnn2C2CCN(C)CC2)c(F)n1.
What is the InChIKey of 6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine?
The InChIKey is RZCGSZMGCUYOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4/c1-5-14-6-7-16(19(20)22-14)18-17(13(2)3)12-21-24(18)15-8-10-23(4)11-9-15/h6-7,12-13,15H,5,8-11H2,1-4H3.
What are the key properties of 6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine?
6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine has a molecular weight of 330.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-fluoro-3-[1-(1-methylpiperidin-4-yl)-4-propan-2-ylpyrazol-5-yl]pyridine is sourced from PubChem (CID 166511087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).