2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide

C23H19N3O4 — CID 20882223

IUPAC2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)Nc1ccc3c(C)cc(=O)oc3c1)CO2
InChIInChI=1S/C23H19N3O4/c1-13-3-6-19-18(7-13)23-15(12-29-19)10-24-26(23)11-21(27)25-16-4-5-17-14(2)8-22(28)30-20(17)9-16/h3-10H,11-12H2,1-2H3,(H,25,27)
InChIKeyKPFNORWLVHAGII-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.80
Rot. Bonds3

About 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide

2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 20882223) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID20882223
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)Nc1ccc3c(C)cc(=O)oc3c1)CO2
InChIInChI=1S/C23H19N3O4/c1-13-3-6-19-18(7-13)23-15(12-29-19)10-24-26(23)11-21(27)25-16-4-5-17-14(2)8-22(28)30-20(17)9-16/h3-10H,11-12H2,1-2H3,(H,25,27)
InChIKeyKPFNORWLVHAGII-UHFFFAOYSA-N
XLogP3.80
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 20882223) is 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide is Cc1ccc2c(c1)-c1c(cnn1CC(=O)Nc1ccc3c(C)cc(=O)oc3c1)CO2.
What is the InChIKey of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is KPFNORWLVHAGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-13-3-6-19-18(7-13)23-15(12-29-19)10-24-26(23)11-21(27)25-16-4-5-17-14(2)8-22(28)30-20(17)9-16/h3-10H,11-12H2,1-2H3,(H,25,27).
What are the key properties of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 401.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 20882223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).