4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine

C19H23N7O — CID 166605374

IUPAC4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
SMILESCOc1cc(CN2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)ccn1
InChIInChI=1S/C19H23N7O/c1-15-4-6-26(23-15)18-12-17(21-14-22-18)25-9-7-24(8-10-25)13-16-3-5-20-19(11-16)27-2/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyCILMRUZYLNLOGG-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.70
Rot. Bonds5

About 4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine

4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine (PubChem CID 166605374) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
PubChem CID166605374
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
SMILESCOc1cc(CN2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)ccn1
InChIInChI=1S/C19H23N7O/c1-15-4-6-26(23-15)18-12-17(21-14-22-18)25-9-7-24(8-10-25)13-16-3-5-20-19(11-16)27-2/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyCILMRUZYLNLOGG-UHFFFAOYSA-N
XLogP1.70
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine 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

4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166601673
4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166605541
2-methyl-5-[[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171997908
4-methoxy-6-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 154575770
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166601695
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154581224
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-6-methoxypyrimidine
CID 146074484
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 165433622
2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine
CID 166601576
(3-methoxy-1-methylpyrazol-4-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344784
6-fluoro-4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]quinazoline
CID 166605531
1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 171690317

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine (CID 166605374) is 4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine is COc1cc(CN2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)ccn1.
What is the InChIKey of 4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
The InChIKey is CILMRUZYLNLOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-15-4-6-26(23-15)18-12-17(21-14-22-18)25-9-7-24(8-10-25)13-16-3-5-20-19(11-16)27-2/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of 4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine?
4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine has a molecular weight of 365.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 166605374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).