furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone

C24H28N4O4 — CID 127034069

IUPACfuran-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)c4ccco4)CC3)nc1-2
InChIInChI=1S/C24H28N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3
InChIKeyAQWDNHQURKZWRU-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.24
Rot. Bonds5

About furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone

furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 127034069) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
PubChem CID127034069
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Namefuran-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)c4ccco4)CC3)nc1-2
InChIInChI=1S/C24H28N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3
InChIKeyAQWDNHQURKZWRU-UHFFFAOYSA-N
XLogP3.24
TPSA72.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone (CID 127034069) is furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone is COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)c4ccco4)CC3)nc1-2.
What is the InChIKey of furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is AQWDNHQURKZWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-21(18)32-24)13-10-26-8-11-27(12-9-26)23(29)20-5-4-14-31-20/h4-7,14-16H,8-13H2,1-3H3.
What are the key properties of furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 436.51 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 127034069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).