methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate

C23H27ClN4O3 — CID 68716440

IUPACmethyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)cc12
InChIInChI=1S/C23H27ClN4O3/c1-30-23(29)19-17-25-28-10-8-18(16-22(19)28)31-15-5-4-9-26-11-13-27(14-12-26)21-7-3-2-6-20(21)24/h2-3,6-8,10,16-17H,4-5,9,11-15H2,1H3
InChIKeyVTBMVBZCJIIPJO-UHFFFAOYSA-N
MW442.95 g/mol
LogP3.76
Rot. Bonds8

About methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 68716440) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID68716440
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC Namemethyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)cc12
InChIInChI=1S/C23H27ClN4O3/c1-30-23(29)19-17-25-28-10-8-18(16-22(19)28)31-15-5-4-9-26-11-13-27(14-12-26)21-7-3-2-6-20(21)24/h2-3,6-8,10,16-17H,4-5,9,11-15H2,1H3
InChIKeyVTBMVBZCJIIPJO-UHFFFAOYSA-N
XLogP3.76
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072327
5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25071386
3-iodo-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072630
1-[5-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 163793421
[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-2-yl]methanol
CID 90644227
methyl 4-hydroxy-2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]benzoate
CID 139690579
5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
CID 167451868
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline
CID 139623945
methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate
CID 121231756
[7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-2-oxoquinolin-1-yl]methyl methylamino carbonate
CID 155445169
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1-[2-(2-methoxyethoxy)acetyl]quinolin-2-one
CID 58579116
5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25071067

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 68716440) is methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2ccc(OCCCCN3CCN(c4ccccc4Cl)CC3)cc12.
What is the InChIKey of methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is VTBMVBZCJIIPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-30-23(29)19-17-25-28-10-8-18(16-22(19)28)31-15-5-4-9-26-11-13-27(14-12-26)21-7-3-2-6-20(21)24/h2-3,6-8,10,16-17H,4-5,9,11-15H2,1H3.
What are the key properties of methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 442.95 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 68716440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).