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

C24H31N5O2 — CID 10895106

IUPACN-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCCNC(=O)c2cc3ccccn3n2)CC1
InChIInChI=1S/C24H31N5O2/c1-31-23-11-4-3-10-22(23)28-17-15-27(16-18-28)13-7-2-6-12-25-24(30)21-19-20-9-5-8-14-29(20)26-21/h3-5,8-11,14,19H,2,6-7,12-13,15-18H2,1H3,(H,25,30)
InChIKeySFBYKQFVXHFMBA-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.07
Rot. Bonds9

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

N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 10895106) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID10895106
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCCNC(=O)c2cc3ccccn3n2)CC1
InChIInChI=1S/C24H31N5O2/c1-31-23-11-4-3-10-22(23)28-17-15-27(16-18-28)13-7-2-6-12-25-24(30)21-19-20-9-5-8-14-29(20)26-21/h3-5,8-11,14,19H,2,6-7,12-13,15-18H2,1H3,(H,25,30)
InChIKeySFBYKQFVXHFMBA-UHFFFAOYSA-N
XLogP3.07
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.07
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-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide (CID 10895106) is N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide is COc1ccccc1N1CCN(CCCCCNC(=O)c2cc3ccccn3n2)CC1.
What is the InChIKey of N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is SFBYKQFVXHFMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-31-23-11-4-3-10-22(23)28-17-15-27(16-18-28)13-7-2-6-12-25-24(30)21-19-20-9-5-8-14-29(20)26-21/h3-5,8-11,14,19H,2,6-7,12-13,15-18H2,1H3,(H,25,30).
What are the key properties of N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide?
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 10895106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).