1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone

C22H22N4O4 — CID 20882151

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCN(C(=O)c3ccco3)CC1)CO2
InChIInChI=1S/C22H22N4O4/c1-15-4-5-18-17(11-15)21-16(14-30-18)12-23-26(21)13-20(27)24-6-8-25(9-7-24)22(28)19-3-2-10-29-19/h2-5,10-12H,6-9,13-14H2,1H3
InChIKeyHOUAIJWYPQDWQV-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.33
Rot. Bonds3

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone (PubChem CID 20882151) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone
PubChem CID20882151
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCN(C(=O)c3ccco3)CC1)CO2
InChIInChI=1S/C22H22N4O4/c1-15-4-5-18-17(11-15)21-16(14-30-18)12-23-26(21)13-20(27)24-6-8-25(9-7-24)22(28)19-3-2-10-29-19/h2-5,10-12H,6-9,13-14H2,1H3
InChIKeyHOUAIJWYPQDWQV-UHFFFAOYSA-N
XLogP2.33
TPSA80.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone (CID 20882151) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone is Cc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCN(C(=O)c3ccco3)CC1)CO2.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone?
The InChIKey is HOUAIJWYPQDWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-15-4-5-18-17(11-15)21-16(14-30-18)12-23-26(21)13-20(27)24-6-8-25(9-7-24)22(28)19-3-2-10-29-19/h2-5,10-12H,6-9,13-14H2,1H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone has a molecular weight of 406.44 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone is sourced from PubChem (CID 20882151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).