N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

C27H33N5O4 — CID 127034067

IUPACN-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)NCn3ncc4c3-c3ccc(OC)cc3OC4(C)C)CC2)cc1
InChIInChI=1S/C27H33N5O4/c1-27(2)23-16-29-32(26(23)22-10-9-21(35-4)15-24(22)36-27)18-28-25(33)17-30-11-13-31(14-12-30)19-5-7-20(34-3)8-6-19/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
InChIKeyOGCYKMRKHKZCCI-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.09
Rot. Bonds7

About N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 127034067) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID127034067
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC NameN-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)NCn3ncc4c3-c3ccc(OC)cc3OC4(C)C)CC2)cc1
InChIInChI=1S/C27H33N5O4/c1-27(2)23-16-29-32(26(23)22-10-9-21(35-4)15-24(22)36-27)18-28-25(33)17-30-11-13-31(14-12-30)19-5-7-20(34-3)8-6-19/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33)
InChIKeyOGCYKMRKHKZCCI-UHFFFAOYSA-N
XLogP3.09
TPSA81.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 127029838
Cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 127029837
1-[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 127030160
N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 127033483
N-[(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 127033786
N-[(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 127034064
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)methyl]acetamide
CID 127034066
2-{1H,4H-Chromeno[4,3-C]pyrazol-1-YL}-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5309911
1-[4-(4-Methoxyphenyl)piperazin-1-YL]-2-{8-methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}ethan-1-one
CID 16010602
N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 127033787
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]acetamide
CID 127034065
N-{3-[4-(4-Fluorophenyl)piperazin-1-YL]propyl}-2-{8-methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 20882172

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (CID 127034067) is N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccc(N2CCN(CC(=O)NCn3ncc4c3-c3ccc(OC)cc3OC4(C)C)CC2)cc1.
What is the InChIKey of N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is OGCYKMRKHKZCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-27(2)23-16-29-32(26(23)22-10-9-21(35-4)15-24(22)36-27)18-28-25(33)17-30-11-13-31(14-12-30)19-5-7-20(34-3)8-6-19/h5-10,15-16H,11-14,17-18H2,1-4H3,(H,28,33).
What are the key properties of N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 491.59 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 127034067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).