5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine

C30H36N6 — CID 159834481

IUPAC5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine
SMILESCC(C)c1ccc2ccnn2c1.CC(C)c1cccc2ccnn12.CC(C)c1ccn2nccc2c1
InChIInChI=1S/3C10H12N2/c1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-8(2)9-3-4-10-5-6-11-12(10)7-9;1-8(2)10-5-3-4-9-6-7-11-12(9)10/h3*3-8H,1-2H3
InChIKeyNNWPVDWVUNRIIO-UHFFFAOYSA-N
MW480.66 g/mol
LogP7.37
Rot. Bonds3

About 5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine

5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine (PubChem CID 159834481) has the molecular formula C30H36N6 and a molecular weight of 480.66 g/mol. Its IUPAC name is 5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine
PubChem CID159834481
Molecular FormulaC30H36N6
Molecular Weight480.66 g/mol
Exact Mass480.30
IUPAC Name5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine
SMILESCC(C)c1ccc2ccnn2c1.CC(C)c1cccc2ccnn12.CC(C)c1ccn2nccc2c1
InChIInChI=1S/3C10H12N2/c1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-8(2)9-3-4-10-5-6-11-12(10)7-9;1-8(2)10-5-3-4-9-6-7-11-12(9)10/h3*3-8H,1-2H3
InChIKeyNNWPVDWVUNRIIO-UHFFFAOYSA-N
XLogP7.37
TPSA51.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine?
The IUPAC name of 5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine (CID 159834481) is 5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine is CC(C)c1ccc2ccnn2c1.CC(C)c1cccc2ccnn12.CC(C)c1ccn2nccc2c1.
What is the InChIKey of 5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine?
The InChIKey is NNWPVDWVUNRIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H12N2/c1-8(2)9-4-6-12-10(7-9)3-5-11-12;1-8(2)9-3-4-10-5-6-11-12(10)7-9;1-8(2)10-5-3-4-9-6-7-11-12(9)10/h3*3-8H,1-2H3.
What are the key properties of 5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine?
5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine has a molecular weight of 480.66 g/mol, XLogP of 7.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylpyrazolo[1,5-a]pyridine;6-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 159834481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).