1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine

C28H34N4O — CID 141135451

IUPAC1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine
SMILESC1=CC2=CCN(CCCCN3CCN(c4ccccc4OCc4ccccc4)CC3)N2C=C1
InChIInChI=1S/C28H34N4O/c1-2-10-25(11-3-1)24-33-28-14-5-4-13-27(28)30-22-20-29(21-23-30)16-8-9-17-31-19-15-26-12-6-7-18-32(26)31/h1-7,10-15,18H,8-9,16-17,19-24H2
InChIKeyXOITULRSQRZZDP-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.67
Rot. Bonds9

About 1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine

1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine (PubChem CID 141135451) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is 1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine
PubChem CID141135451
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC Name1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine
SMILESC1=CC2=CCN(CCCCN3CCN(c4ccccc4OCc4ccccc4)CC3)N2C=C1
InChIInChI=1S/C28H34N4O/c1-2-10-25(11-3-1)24-33-28-14-5-4-13-27(28)30-22-20-29(21-23-30)16-8-9-17-31-19-15-26-12-6-7-18-32(26)31/h1-7,10-15,18H,8-9,16-17,19-24H2
InChIKeyXOITULRSQRZZDP-UHFFFAOYSA-N
XLogP4.67
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine
CID 141135477
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1H-triazolo[1,5-a]pyridine
CID 70581507
4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine
CID 51357649
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide
CID 67015267
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21473441
N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 139793638
1-ethyl-4-[3-(2-phenylmethoxyphenoxy)propyl]piperazine
CID 2961785
6-bromo-1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-2H-pyrazolo[1,5-a]pyridine
CID 141135448
3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21136388

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine?
The IUPAC name of 1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine (CID 141135451) is 1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine is C1=CC2=CCN(CCCCN3CCN(c4ccccc4OCc4ccccc4)CC3)N2C=C1.
What is the InChIKey of 1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine?
The InChIKey is XOITULRSQRZZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c1-2-10-25(11-3-1)24-33-28-14-5-4-13-27(28)30-22-20-29(21-23-30)16-8-9-17-31-19-15-26-12-6-7-18-32(26)31/h1-7,10-15,18H,8-9,16-17,19-24H2.
What are the key properties of 1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine?
1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine has a molecular weight of 442.61 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]butyl]-2H-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 141135451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).