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

C26H30N4O3 — CID 127034071

IUPAC[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)c4ccccc4)CC3)nc1-2
InChIInChI=1S/C26H30N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3
InChIKeyYYSZFBQTFOSIAL-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.64
Rot. Bonds5

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

[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone (PubChem CID 127034071) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone
PubChem CID127034071
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone
SMILESCOc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)c4ccccc4)CC3)nc1-2
InChIInChI=1S/C26H30N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3
InChIKeyYYSZFBQTFOSIAL-UHFFFAOYSA-N
XLogP3.64
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-phenylmethanone?
The IUPAC name of [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone (CID 127034071) is [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone is COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)c4ccccc4)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]-phenylmethanone?
The InChIKey is YYSZFBQTFOSIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3.
What are the key properties of [4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone?
[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 446.55 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]-phenylmethanone is sourced from PubChem (CID 127034071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).