2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde

C19H20ClN5O2 — CID 87549842

IUPAC2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde
SMILESCOc1cc(N2CCN(C(C=O)n3cc4ncccc4n3)CC2)ccc1Cl
InChIInChI=1S/C19H20ClN5O2/c1-27-18-11-14(4-5-15(18)20)23-7-9-24(10-8-23)19(13-26)25-12-17-16(22-25)3-2-6-21-17/h2-6,11-13,19H,7-10H2,1H3
InChIKeyAKJDIGCWMKUMCM-UHFFFAOYSA-N
MW385.86 g/mol
LogP2.61
Rot. Bonds5

About 2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde

2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde (PubChem CID 87549842) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is 2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde.

Molecular Properties

Compound Name2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde
PubChem CID87549842
Molecular FormulaC19H20ClN5O2
Molecular Weight385.86 g/mol
Exact Mass385.13
IUPAC Name2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde
SMILESCOc1cc(N2CCN(C(C=O)n3cc4ncccc4n3)CC2)ccc1Cl
InChIInChI=1S/C19H20ClN5O2/c1-27-18-11-14(4-5-15(18)20)23-7-9-24(10-8-23)19(13-26)25-12-17-16(22-25)3-2-6-21-17/h2-6,11-13,19H,7-10H2,1H3
InChIKeyAKJDIGCWMKUMCM-UHFFFAOYSA-N
XLogP2.61
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[4,3-c]pyridin-2-yl)acetaldehyde
CID 87549031
2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)acetaldehyde
CID 87580342
2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-pyridin-2-yl-5-(trifluoromethyl)pyrazol-1-yl]acetaldehyde
CID 87609869
2-(3-amino-4-bromo-5-phenylpyrazol-1-yl)-2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]acetaldehyde
CID 87952017
2-[3-(benzenesulfonyl)-4-chloro-5-methylpyrazol-1-yl]-2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]acetaldehyde
CID 87649513
2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-d]pyrimidin-1-ylacetaldehyde
CID 87807283
2-[4-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-methylpyrazol-1-yl]-2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]acetaldehyde
CID 87610991
magnesium;carbanide;1-(4-chloro-3-methoxyphenyl)piperazine;4-[1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethyl]quinoline;methane;quinoline-4-carbaldehyde;chloride
CID 159060865
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[5-methylsulfonyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetaldehyde
CID 87649611
CID 58237741
CID 58237741
1-(3-chloro-4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452672

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde?
The IUPAC name of 2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde (CID 87549842) is 2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde.
What is the SMILES notation for 2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde?
The canonical SMILES for 2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde is COc1cc(N2CCN(C(C=O)n3cc4ncccc4n3)CC2)ccc1Cl.
What is the InChIKey of 2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde?
The InChIKey is AKJDIGCWMKUMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-27-18-11-14(4-5-15(18)20)23-7-9-24(10-8-23)19(13-26)25-12-17-16(22-25)3-2-6-21-17/h2-6,11-13,19H,7-10H2,1H3.
What are the key properties of 2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde?
2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde has a molecular weight of 385.86 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[4,3-b]pyridin-2-ylacetaldehyde is sourced from PubChem (CID 87549842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).