N-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide

C24H26N4O4 — CID 5309572

IUPACN-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCOCCCN(C(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21)C(C)c1ccncc1
InChIInChI=1S/C24H26N4O4/c1-16-5-6-21-19(13-16)23-20(24(30)32-21)14-26-28(23)15-22(29)27(11-4-12-31-3)17(2)18-7-9-25-10-8-18/h5-10,13-14,17H,4,11-12,15H2,1-3H3
InChIKeyWJUGWVATRNOZQM-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.47
Rot. Bonds8

About N-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide

N-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 5309572) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID5309572
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCOCCCN(C(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21)C(C)c1ccncc1
InChIInChI=1S/C24H26N4O4/c1-16-5-6-21-19(13-16)23-20(24(30)32-21)14-26-28(23)15-22(29)27(11-4-12-31-3)17(2)18-7-9-25-10-8-18/h5-10,13-14,17H,4,11-12,15H2,1-3H3
InChIKeyWJUGWVATRNOZQM-UHFFFAOYSA-N
XLogP3.47
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-{8-methyl-4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 5309260
ST51001558
CID 342056
1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromeno[4,3-c]pyrazol-4(1H)-one
CID 3243491
8-Methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]chromeno[4,3-c]pyrazol-4-one
CID 5308368
N-{2-[4-(2-Fluorophenyl)piperazin-1-YL]ethyl}-2-{4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 5309292
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 5309822
1-[2-[4-(3-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 16009565
2-(4-oxochromeno[4,3-c]pyrazol-1-yl)-N-(6-quinolyl)acetamide
CID 89031605
1-{2-[4-(2-furoyl)piperazin-1-yl]-2-oxoethyl}chromeno[4,3-c]pyrazol-4(1H)-one
CID 3240181
N-(4-fluorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 3473530
2-Phenylchromeno[4,3-c]pyrazol-4-one
CID 3856570
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
CID 5307131

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide (CID 5309572) is N-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide is COCCCN(C(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21)C(C)c1ccncc1.
What is the InChIKey of N-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is WJUGWVATRNOZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16-5-6-21-19(13-16)23-20(24(30)32-21)14-26-28(23)15-22(29)27(11-4-12-31-3)17(2)18-7-9-25-10-8-18/h5-10,13-14,17H,4,11-12,15H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide?
N-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 434.50 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 5309572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).