(4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone

C22H25N5O2 — CID 46958151

IUPAC(4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cc1
InChIInChI=1S/C22H25N5O2/c1-25-19(14-21(24-25)18-4-3-9-23-15-18)16-26-10-12-27(13-11-26)22(28)17-5-7-20(29-2)8-6-17/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyCXQSAEOTIWAQET-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.45
Rot. Bonds5

About (4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone

(4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 46958151) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID46958151
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name(4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cc1
InChIInChI=1S/C22H25N5O2/c1-25-19(14-21(24-25)18-4-3-9-23-15-18)16-26-10-12-27(13-11-26)22(28)17-5-7-20(29-2)8-6-17/h3-9,14-15H,10-13,16H2,1-2H3
InChIKeyCXQSAEOTIWAQET-UHFFFAOYSA-N
XLogP2.45
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone 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

(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 46958152
(4-methoxyphenyl)-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 78848111
(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-4-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 92566200
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
(3,5-dimethoxyphenyl)-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087828
2-methyl-6-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]pyridazin-3-one
CID 122566786
2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide
CID 92566167
2-(4-methoxyphenyl)-1-[4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]ethanone
CID 53087835
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1112858
[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 997986
[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70768505

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone (CID 46958151) is (4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is CXQSAEOTIWAQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-25-19(14-21(24-25)18-4-3-9-23-15-18)16-26-10-12-27(13-11-26)22(28)17-5-7-20(29-2)8-6-17/h3-9,14-15H,10-13,16H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 46958151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).