2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole

C25H29N5O — CID 118710903

IUPAC2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2cn3nc(-c4ccccc4)c(CN4CCN(C)CC4)c3n2C)cc1
InChIInChI=1S/C25H29N5O/c1-27-13-15-29(16-14-27)17-22-24(20-7-5-4-6-8-20)26-30-18-23(28(2)25(22)30)19-9-11-21(31-3)12-10-19/h4-12,18H,13-17H2,1-3H3
InChIKeyQLUSDCYKSVCBCY-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.76
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole

2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole (PubChem CID 118710903) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole
PubChem CID118710903
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2cn3nc(-c4ccccc4)c(CN4CCN(C)CC4)c3n2C)cc1
InChIInChI=1S/C25H29N5O/c1-27-13-15-29(16-14-27)17-22-24(20-7-5-4-6-8-20)26-30-18-23(28(2)25(22)30)19-9-11-21(31-3)12-10-19/h4-12,18H,13-17H2,1-3H3
InChIKeyQLUSDCYKSVCBCY-UHFFFAOYSA-N
XLogP3.76
TPSA37.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole (CID 118710903) is 2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole is COc1ccc(-c2cn3nc(-c4ccccc4)c(CN4CCN(C)CC4)c3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole?
The InChIKey is QLUSDCYKSVCBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-27-13-15-29(16-14-27)17-22-24(20-7-5-4-6-8-20)26-30-18-23(28(2)25(22)30)19-9-11-21(31-3)12-10-19/h4-12,18H,13-17H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole?
2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole has a molecular weight of 415.54 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole is sourced from PubChem (CID 118710903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).