1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone

C25H31N5O2 — CID 159551559

IUPAC1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
SMILESCN1CCN(CC2CCC(C(=O)Cc3cc4cc(-c5cnco5)ccc4nn3)CC2)CC1
InChIInChI=1S/C25H31N5O2/c1-29-8-10-30(11-9-29)16-18-2-4-19(5-3-18)24(31)14-22-13-21-12-20(25-15-26-17-32-25)6-7-23(21)28-27-22/h6-7,12-13,15,17-19H,2-5,8-11,14,16H2,1H3
InChIKeyMFLMRZCSOISXFO-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.45
Rot. Bonds6

About 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone

1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone (PubChem CID 159551559) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
PubChem CID159551559
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
SMILESCN1CCN(CC2CCC(C(=O)Cc3cc4cc(-c5cnco5)ccc4nn3)CC2)CC1
InChIInChI=1S/C25H31N5O2/c1-29-8-10-30(11-9-29)16-18-2-4-19(5-3-18)24(31)14-22-13-21-12-20(25-15-26-17-32-25)6-7-23(21)28-27-22/h6-7,12-13,15,17-19H,2-5,8-11,14,16H2,1H3
InChIKeyMFLMRZCSOISXFO-UHFFFAOYSA-N
XLogP3.45
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone 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 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone?
The IUPAC name of 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone (CID 159551559) is 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone?
The canonical SMILES for 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone is CN1CCN(CC2CCC(C(=O)Cc3cc4cc(-c5cnco5)ccc4nn3)CC2)CC1.
What is the InChIKey of 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone?
The InChIKey is MFLMRZCSOISXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-29-8-10-30(11-9-29)16-18-2-4-19(5-3-18)24(31)14-22-13-21-12-20(25-15-26-17-32-25)6-7-23(21)28-27-22/h6-7,12-13,15,17-19H,2-5,8-11,14,16H2,1H3.
What are the key properties of 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone?
1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone has a molecular weight of 433.56 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone is sourced from PubChem (CID 159551559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).