[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone

C20H22N4O — CID 70754475

IUPAC[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
SMILESCc1ccccc1N1CCN(C(=O)c2cccc3ccnn23)C(C)C1
InChIInChI=1S/C20H22N4O/c1-15-6-3-4-8-18(15)22-12-13-23(16(2)14-22)20(25)19-9-5-7-17-10-11-21-24(17)19/h3-11,16H,12-14H2,1-2H3
InChIKeyOWBUSJOSQKFRCG-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.99
Rot. Bonds2

About [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone

[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone (PubChem CID 70754475) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
PubChem CID70754475
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
SMILESCc1ccccc1N1CCN(C(=O)c2cccc3ccnn23)C(C)C1
InChIInChI=1S/C20H22N4O/c1-15-6-3-4-8-18(15)22-12-13-23(16(2)14-22)20(25)19-9-5-7-17-10-11-21-24(17)19/h3-11,16H,12-14H2,1-2H3
InChIKeyOWBUSJOSQKFRCG-UHFFFAOYSA-N
XLogP2.99
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 70709461
[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 96581267
2,1,3-benzoxadiazol-5-yl-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methanone
CID 70768716
(E)-1-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 95216606
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70754396
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 70751102
1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 70775005
6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 70785679
5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 70764665
2-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]acetic acid
CID 98770791
(2S)-2-methyl-4-(2-methylphenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperazine-1-carboxamide
CID 125156301
1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 70755407

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone?
The IUPAC name of [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone (CID 70754475) is [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone.
What is the SMILES notation for [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone?
The canonical SMILES for [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone is Cc1ccccc1N1CCN(C(=O)c2cccc3ccnn23)C(C)C1.
What is the InChIKey of [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone?
The InChIKey is OWBUSJOSQKFRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-6-3-4-8-18(15)22-12-13-23(16(2)14-22)20(25)19-9-5-7-17-10-11-21-24(17)19/h3-11,16H,12-14H2,1-2H3.
What are the key properties of [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone?
[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone has a molecular weight of 334.42 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone is sourced from PubChem (CID 70754475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).