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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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).