[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C21H24N4O2 — CID 70770006

IUPAC[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCOc1ccc(N2CCN(C(=O)c3cnn4ccccc34)CC2(C)C)cc1
InChIInChI=1S/C21H24N4O2/c1-21(2)15-23(12-13-24(21)16-7-9-17(27-3)10-8-16)20(26)18-14-22-25-11-5-4-6-19(18)25/h4-11,14H,12-13,15H2,1-3H3
InChIKeyUEWYIDNVFGZFQN-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.08
Rot. Bonds3

About [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 70770006) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID70770006
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCOc1ccc(N2CCN(C(=O)c3cnn4ccccc34)CC2(C)C)cc1
InChIInChI=1S/C21H24N4O2/c1-21(2)15-23(12-13-24(21)16-7-9-17(27-3)10-8-16)20(26)18-14-22-25-11-5-4-6-19(18)25/h4-11,14H,12-13,15H2,1-3H3
InChIKeyUEWYIDNVFGZFQN-UHFFFAOYSA-N
XLogP3.08
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103726815
(6-methoxy-1H-indol-2-yl)-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 71797895
8a-benzyl-7-(pyrazolo[1,5-a]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146038513
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 71797913
(3-hydroxy-3-propan-2-ylazetidin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120226
[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 70752683
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 95713243
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyridin-3-yl)methanone;hydrochloride
CID 119414481
[(3S)-3-hydroxypiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 107224385
(4-benzhydrylpiperazin-1-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 20875663
2-cyclopentyl-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 71797849
(2,2-dimethyloxan-4-yl)-[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]methanone
CID 70722230

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 70770006) is [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is COc1ccc(N2CCN(C(=O)c3cnn4ccccc34)CC2(C)C)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is UEWYIDNVFGZFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2)15-23(12-13-24(21)16-7-9-17(27-3)10-8-16)20(26)18-14-22-25-11-5-4-6-19(18)25/h4-11,14H,12-13,15H2,1-3H3.
What are the key properties of [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 364.45 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 70770006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).