2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde

C26H32N6O2 — CID 87067703

IUPAC2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde
SMILESCc1cc(C)n(C(C=O)N2CCN(c3ccccc3-c3ccc(N4CCOCC4)nc3)CC2)n1
InChIInChI=1S/C26H32N6O2/c1-20-17-21(2)32(28-20)26(19-33)31-11-9-29(10-12-31)24-6-4-3-5-23(24)22-7-8-25(27-18-22)30-13-15-34-16-14-30/h3-8,17-19,26H,9-16H2,1-2H3
InChIKeyHLRUBYMOZKGWBO-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.92
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde

2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde (PubChem CID 87067703) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde
PubChem CID87067703
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde
SMILESCc1cc(C)n(C(C=O)N2CCN(c3ccccc3-c3ccc(N4CCOCC4)nc3)CC2)n1
InChIInChI=1S/C26H32N6O2/c1-20-17-21(2)32(28-20)26(19-33)31-11-9-29(10-12-31)24-6-4-3-5-23(24)22-7-8-25(27-18-22)30-13-15-34-16-14-30/h3-8,17-19,26H,9-16H2,1-2H3
InChIKeyHLRUBYMOZKGWBO-UHFFFAOYSA-N
XLogP2.92
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313
4-(5-Isopropyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4870355
4-(9-Methyl-7-pyridin-2-yl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl)morpholine
CID 712798
US11407737, Example 65
CID 162764802
4-(5-Methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 3614066
5-fluoro-4-(1-(2-morpholinoethyl)-1H-pyrazol-3-yl)-N-(4-morpholinophenyl)pyridin-2-amine
CID 54583576
4-[1-methyl-4-(2-methylpyrazol-3-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 54583602
4-(1,1''-dimethyl-1H,1''H-4,4''-bipyrazol-3-yl)-N-(4-morpholinophenyl)pyridin-2-amine
CID 54586508
4-[[3-[5-(2-Methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine
CID 155522306
4-(3-Phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4973688
US10954216, Example 51
CID 142395352
1-[(2-Morpholino-5-phenyl-3-pyridyl)methyl]triazole-4-carbaldehyde
CID 118735822

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde (CID 87067703) is 2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde is Cc1cc(C)n(C(C=O)N2CCN(c3ccccc3-c3ccc(N4CCOCC4)nc3)CC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde?
The InChIKey is HLRUBYMOZKGWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-20-17-21(2)32(28-20)26(19-33)31-11-9-29(10-12-31)24-6-4-3-5-23(24)22-7-8-25(27-18-22)30-13-15-34-16-14-30/h3-8,17-19,26H,9-16H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde?
2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde has a molecular weight of 460.58 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde is sourced from PubChem (CID 87067703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).