5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine

C23H30N4O2 — CID 25069451

IUPAC5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESCOc1ccccc1N1CCCN(CCCCOc2ccn3nccc3c2)CC1
InChIInChI=1S/C23H30N4O2/c1-28-23-8-3-2-7-22(23)26-14-6-13-25(16-17-26)12-4-5-18-29-21-10-15-27-20(19-21)9-11-24-27/h2-3,7-11,15,19H,4-6,12-14,16-18H2,1H3
InChIKeyVELHCPCDHBEIFQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.71
Rot. Bonds8

About 5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine

5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine (PubChem CID 25069451) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine
PubChem CID25069451
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine
SMILESCOc1ccccc1N1CCCN(CCCCOc2ccn3nccc3c2)CC1
InChIInChI=1S/C23H30N4O2/c1-28-23-8-3-2-7-22(23)26-14-6-13-25(16-17-26)12-4-5-18-29-21-10-15-27-20(19-21)9-11-24-27/h2-3,7-11,15,19H,4-6,12-14,16-18H2,1H3
InChIKeyVELHCPCDHBEIFQ-UHFFFAOYSA-N
XLogP3.71
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The IUPAC name of 5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine (CID 25069451) is 5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine is COc1ccccc1N1CCCN(CCCCOc2ccn3nccc3c2)CC1.
What is the InChIKey of 5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
The InChIKey is VELHCPCDHBEIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-28-23-8-3-2-7-22(23)26-14-6-13-25(16-17-26)12-4-5-18-29-21-10-15-27-20(19-21)9-11-24-27/h2-3,7-11,15,19H,4-6,12-14,16-18H2,1H3.
What are the key properties of 5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine?
5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine has a molecular weight of 394.52 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butoxy]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 25069451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).