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

C24H32N4O4 — CID 127030161

IUPAC[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)C4CCCO4)CC3)nc1-2
InChIInChI=1S/C24H32N4O4/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/h6-7,15-16,20H,4-5,8-14H2,1-3H3
InChIKeyUBONXKDRGHQECY-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.51
Rot. Bonds5

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

[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 127030161) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID127030161
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)C4CCCO4)CC3)nc1-2
InChIInChI=1S/C24H32N4O4/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/h6-7,15-16,20H,4-5,8-14H2,1-3H3
InChIKeyUBONXKDRGHQECY-UHFFFAOYSA-N
XLogP2.51
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 127029838
Furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 127034069
[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone
CID 127034071
Cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 127029837
1-[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 127030160
Furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 127034068
[4-[2-(7-Methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)ethyl]piperazin-1-yl]-phenylmethanone
CID 127034070
(1-Fluorocyclobutyl)-[1-(2-pyrrolidin-1-ylethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]methanone
CID 129551827
2-Ethoxy-1-[1-(2-pyrrolidin-1-ylethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155826954
2-Methoxy-1-[1-(2-pyrrolidin-1-ylethyl)spiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155849415
2-[8-methylchromeno[4,3-c]pyrazol-1(4H)-yl]-1-morpholino-1-ethanone
CID 20882096
1-[4-(Furan-2-carbonyl)piperazin-1-YL]-2-{8-methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}ethan-1-one
CID 20882151

Frequently Asked Questions

What is the IUPAC name of [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 127030161) is [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone is COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)C4CCCO4)CC3)nc1-2.
What is the InChIKey of [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is UBONXKDRGHQECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/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/h6-7,15-16,20H,4-5,8-14H2,1-3H3.
What are the key properties of [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 440.54 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 127030161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).