1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine

C24H30N6O — CID 127051105

IUPAC1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine
SMILESCN1CCN(c2ccc(-n3cc(-c4ccncc4OC4CCNCC4)cn3)cc2)CC1
InChIInChI=1S/C24H30N6O/c1-28-12-14-29(15-13-28)20-2-4-21(5-3-20)30-18-19(16-27-30)23-8-11-26-17-24(23)31-22-6-9-25-10-7-22/h2-5,8,11,16-18,22,25H,6-7,9-10,12-15H2,1H3
InChIKeyCWQGVPGTEARVPR-UHFFFAOYSA-N
MW418.55 g/mol
LogP2.82
Rot. Bonds5

About 1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine

1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine (PubChem CID 127051105) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine
PubChem CID127051105
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine
SMILESCN1CCN(c2ccc(-n3cc(-c4ccncc4OC4CCNCC4)cn3)cc2)CC1
InChIInChI=1S/C24H30N6O/c1-28-12-14-29(15-13-28)20-2-4-21(5-3-20)30-18-19(16-27-30)23-8-11-26-17-24(23)31-22-6-9-25-10-7-22/h2-5,8,11,16-18,22,25H,6-7,9-10,12-15H2,1H3
InChIKeyCWQGVPGTEARVPR-UHFFFAOYSA-N
XLogP2.82
TPSA58.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-[4-(4-{3-[(Piperidin-4-Yl)methoxy]pyridin-4-Yl}-1h-Pyrazol-1-Yl)phenyl]piperazine
CID 119058124
9-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]-2,3,4,5-Tetrahydropyrido[2,3-F][1,4]oxazepine
CID 57382553
1-Methyl-4-(4-{4-[3-(2-Methylpropoxy)pyridin-4-Yl]-1h-Pyrazol-1-Yl}phenyl)piperazine
CID 119058125
4-[1-(2-Fluorophenyl)-1h-Pyrazol-4-Yl]-3-[(Piperidin-4-Yl)methoxy]pyridine
CID 119058126
4-[[4-[1-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazol-4-yl]-3-pyridinyl]oxymethyl]cyclohexan-1-amine
CID 127051103
4-[3-Fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine
CID 127052233
N-{[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl}-3-(pyridin-3-yloxy)propan-1-amine
CID 16190889
1-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24791778
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidinecarboxamide
CID 24794292
9-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepin-4-ium
CID 78225541
(2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 95289236
1-[4-[4-(3-Methoxy-4-pyridinyl)pyrazol-1-yl]phenyl]-4-methylpiperazine
CID 127051101

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine?
The IUPAC name of 1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine (CID 127051105) is 1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine is CN1CCN(c2ccc(-n3cc(-c4ccncc4OC4CCNCC4)cn3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine?
The InChIKey is CWQGVPGTEARVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-28-12-14-29(15-13-28)20-2-4-21(5-3-20)30-18-19(16-27-30)23-8-11-26-17-24(23)31-22-6-9-25-10-7-22/h2-5,8,11,16-18,22,25H,6-7,9-10,12-15H2,1H3.
What are the key properties of 1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine?
1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine has a molecular weight of 418.55 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-(3-piperidin-4-yloxy-4-pyridinyl)pyrazol-1-yl]phenyl]piperazine is sourced from PubChem (CID 127051105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).