2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone

C23H32N4O4 — CID 20892292

IUPAC2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CN2CCN(C(=O)Cn3cc4c(n3)CCCC4)CC2)c(OC)c1OC
InChIInChI=1S/C23H32N4O4/c1-29-20-9-8-18(22(30-2)23(20)31-3)14-25-10-12-26(13-11-25)21(28)16-27-15-17-6-4-5-7-19(17)24-27/h8-9,15H,4-7,10-14,16H2,1-3H3
InChIKeyRTPSXCSHJLYVEI-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.13
Rot. Bonds7

About 2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone

2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 20892292) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID20892292
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CN2CCN(C(=O)Cn3cc4c(n3)CCCC4)CC2)c(OC)c1OC
InChIInChI=1S/C23H32N4O4/c1-29-20-9-8-18(22(30-2)23(20)31-3)14-25-10-12-26(13-11-25)21(28)16-27-15-17-6-4-5-7-19(17)24-27/h8-9,15H,4-7,10-14,16H2,1-3H3
InChIKeyRTPSXCSHJLYVEI-UHFFFAOYSA-N
XLogP2.13
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone (CID 20892292) is 2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone is COc1ccc(CN2CCN(C(=O)Cn3cc4c(n3)CCCC4)CC2)c(OC)c1OC.
What is the InChIKey of 2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is RTPSXCSHJLYVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-29-20-9-8-18(22(30-2)23(20)31-3)14-25-10-12-26(13-11-25)21(28)16-27-15-17-6-4-5-7-19(17)24-27/h8-9,15H,4-7,10-14,16H2,1-3H3.
What are the key properties of 2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone?
2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 428.53 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydroindazol-2-yl)-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 20892292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).