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

C24H31N5O2 — CID 11133602

IUPACN-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCCNC(=O)c2cnn3ccccc23)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)20-19-26-29-14-8-5-9-21(20)29/h3-5,8-11,14,19H,2,6-7,12-13,15-18H2,1H3,(H,25,30)
InChIKeyKQJHXQUMRFPEBH-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-3-carboxamide

N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 11133602) 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-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID11133602
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-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCCNC(=O)c2cnn3ccccc23)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)20-19-26-29-14-8-5-9-21(20)29/h3-5,8-11,14,19H,2,6-7,12-13,15-18H2,1H3,(H,25,30)
InChIKeyKQJHXQUMRFPEBH-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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Related Compounds

Sebetralstat
CID 121365142
2-(4-(2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-1H-pyrazol-1-yl)acetonitrile
CID 53327269
US9951086, Example 68
CID 118173098
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25072941
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
CID 44427818
4-((1R,3S)-3-amino-2,2,3-trimethylcyclopentylamino)-6-(6-methoxypyridin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 86707711
4-[[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino]-6-(4-methoxyphenyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 117769365
N-[(7S)-4-(5,6-dimethoxypyridine-3-carbonyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-7-yl]-2-(trifluoromethoxy)benzamide
CID 134278122
N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
CID 139209093
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10524875
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57393628

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 11133602) is N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccccc1N1CCN(CCCCCNC(=O)c2cnn3ccccc23)CC1.
What is the InChIKey of N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is KQJHXQUMRFPEBH-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)20-19-26-29-14-8-5-9-21(20)29/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-3-carboxamide?
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyrazolo[1,5-a]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 11133602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).