N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide

C23H29N5OS — CID 11676195

IUPACN-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
InChIInChI=1S/C23H29N5OS/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
InChIKeyDWEHMLBGRQZUJA-UHFFFAOYSA-N
MW423.59 g/mol
LogP3.39
Rot. Bonds8

About N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide

N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 11676195) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID11676195
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC NameN-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1
InChIInChI=1S/C23H29N5OS/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29)
InChIKeyDWEHMLBGRQZUJA-UHFFFAOYSA-N
XLogP3.39
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 53.39
H-Bond Donors ≤ 51
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 N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide (CID 11676195) is N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide is CSc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccn3n2)CC1.
What is the InChIKey of N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is DWEHMLBGRQZUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-30-22-10-3-2-9-21(22)27-16-14-26(15-17-27)12-7-5-11-24-23(29)20-18-19-8-4-6-13-28(19)25-20/h2-4,6,8-10,13,18H,5,7,11-12,14-17H2,1H3,(H,24,29).
What are the key properties of N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 423.59 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylsulfanylphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 11676195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).