N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C22H27N5O2 — CID 11036641

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
InChIInChI=1S/C22H27N5O2/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
InChIKeyOLKYYLJXZLWORJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.29
Rot. Bonds7

About N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 11036641) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID11036641
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1
InChIInChI=1S/C22H27N5O2/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28)
InChIKeyOLKYYLJXZLWORJ-UHFFFAOYSA-N
XLogP2.29
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.29
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-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 11036641) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccccc1N1CCN(CCCNC(=O)c2cnn3ccccc23)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is OLKYYLJXZLWORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-29-21-9-3-2-8-20(21)26-15-13-25(14-16-26)11-6-10-23-22(28)18-17-24-27-12-5-4-7-19(18)27/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,28).
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 11036641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).