1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine

C25H26N6O — CID 127051104

IUPAC1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine
SMILESCN1CCN(c2ccc(-n3cc(-c4ccncc4OCc4ccncc4)cn3)cc2)CC1
InChIInChI=1S/C25H26N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-11,16-18H,12-15,19H2,1H3
InChIKeyAGTQLXBDJPXYLW-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.66
Rot. Bonds6

About 1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine

1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine (PubChem CID 127051104) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine
PubChem CID127051104
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine
SMILESCN1CCN(c2ccc(-n3cc(-c4ccncc4OCc4ccncc4)cn3)cc2)CC1
InChIInChI=1S/C25H26N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-11,16-18H,12-15,19H2,1H3
InChIKeyAGTQLXBDJPXYLW-UHFFFAOYSA-N
XLogP3.66
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.66
H-Bond Donors ≤ 50
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

4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-phenyl)oxy]ethyl}morpholine
CID 11604319
1-Methyl-4-[4-(4-{3-[(Piperidin-4-Yl)methoxy]pyridin-4-Yl}-1h-Pyrazol-1-Yl)phenyl]piperazine
CID 119058124
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072633
(NE)-N-[[5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
CID 25093832
Jnj-42259152
CID 51353528
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
3-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24823922
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
(NE)-N-[[6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
CID 137633863
dimethyl-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-2-pyridinyl}phenyl)oxy]ethyl}amine
CID 11682470

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine?
The IUPAC name of 1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine (CID 127051104) is 1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine is CN1CCN(c2ccc(-n3cc(-c4ccncc4OCc4ccncc4)cn3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine?
The InChIKey is AGTQLXBDJPXYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-11,16-18H,12-15,19H2,1H3.
What are the key properties of 1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine?
1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine has a molecular weight of 426.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[4-[3-(pyridin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine is sourced from PubChem (CID 127051104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).