1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone

C21H27N5O2 — CID 143383883

IUPAC1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone
SMILESCOc1cc(N2CCN(C(=O)CN3C=C4C=CN=CC4N3C)CC2)ccc1C
InChIInChI=1S/C21H27N5O2/c1-16-4-5-18(12-20(16)28-3)24-8-10-25(11-9-24)21(27)15-26-14-17-6-7-22-13-19(17)23(26)2/h4-7,12-14,19H,8-11,15H2,1-3H3
InChIKeyGMMKHEKFFPDOLY-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.67
Rot. Bonds4

About 1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone

1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone (PubChem CID 143383883) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone
PubChem CID143383883
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone
SMILESCOc1cc(N2CCN(C(=O)CN3C=C4C=CN=CC4N3C)CC2)ccc1C
InChIInChI=1S/C21H27N5O2/c1-16-4-5-18(12-20(16)28-3)24-8-10-25(11-9-24)21(27)15-26-14-17-6-7-22-13-19(17)23(26)2/h4-7,12-14,19H,8-11,15H2,1-3H3
InChIKeyGMMKHEKFFPDOLY-UHFFFAOYSA-N
XLogP1.67
TPSA51.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]ethanone
CID 142419477
1-[2-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4,5-dimethylpyrazole-3-carbonitrile
CID 163490404
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
2-[4-(4-bromo-3-methoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 57442580
2-[5-(aminomethyl)-4-chloro-3-iodopyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 163998122
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113075511
2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 143061887
ethane;1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-[(methylideneamino)methyl-[(E)-1-(1,3-thiazol-2-yl)but-3-enylideneamino]amino]ethanone
CID 143383830
1-(3-methoxy-4-methylphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171429564
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-3-methyl-5-propan-2-ylpyrazol-1-yl)ethanone
CID 142843277
3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-7,8-dimethoxy-1H-3-benzazepin-2-one
CID 75489513
2-chloro-1-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]ethanone
CID 4670659

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone?
The IUPAC name of 1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone (CID 143383883) is 1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone?
The canonical SMILES for 1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone is COc1cc(N2CCN(C(=O)CN3C=C4C=CN=CC4N3C)CC2)ccc1C.
What is the InChIKey of 1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone?
The InChIKey is GMMKHEKFFPDOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-4-5-18(12-20(16)28-3)24-8-10-25(11-9-24)21(27)15-26-14-17-6-7-22-13-19(17)23(26)2/h4-7,12-14,19H,8-11,15H2,1-3H3.
What are the key properties of 1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone?
1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone has a molecular weight of 381.48 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxy-4-methylphenyl)piperazin-1-yl]-2-(1-methyl-7aH-pyrazolo[3,4-c]pyridin-2-yl)ethanone is sourced from PubChem (CID 143383883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).