3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine

C19H21N3 — CID 90706000

IUPAC3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine
SMILESC=CC(C)CC(C)c1cnn2cc(-c3ccncc3)ccc12
InChIInChI=1S/C19H21N3/c1-4-14(2)11-15(3)18-12-21-22-13-17(5-6-19(18)22)16-7-9-20-10-8-16/h4-10,12-15H,1,11H2,2-3H3
InChIKeyYZAKVEMTUGYQHZ-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.71
Rot. Bonds5

About 3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine

3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine (PubChem CID 90706000) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine
PubChem CID90706000
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine
SMILESC=CC(C)CC(C)c1cnn2cc(-c3ccncc3)ccc12
InChIInChI=1S/C19H21N3/c1-4-14(2)11-15(3)18-12-21-22-13-17(5-6-19(18)22)16-7-9-20-10-8-16/h4-10,12-15H,1,11H2,2-3H3
InChIKeyYZAKVEMTUGYQHZ-UHFFFAOYSA-N
XLogP4.71
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine?
The IUPAC name of 3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine (CID 90706000) is 3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine is C=CC(C)CC(C)c1cnn2cc(-c3ccncc3)ccc12.
What is the InChIKey of 3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine?
The InChIKey is YZAKVEMTUGYQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-4-14(2)11-15(3)18-12-21-22-13-17(5-6-19(18)22)16-7-9-20-10-8-16/h4-10,12-15H,1,11H2,2-3H3.
What are the key properties of 3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine?
3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine has a molecular weight of 291.40 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylhex-5-en-2-yl)-6-pyridin-4-ylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 90706000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).