4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine

C33H42N6O — CID 174591781

IUPAC4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCc1nn(C2CCN(CC(C)C)CC2)c(C)c1-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3)c2n1
InChIInChI=1S/C33H42N6O/c1-23(2)21-37-14-12-28(13-15-37)39-25(4)32(24(3)36-39)31-20-34-30-7-5-6-29(33(30)35-31)27-10-8-26(9-11-27)22-38-16-18-40-19-17-38/h5-11,20,23,28H,12-19,21-22H2,1-4H3
InChIKeyOKGVSYHTPJSAMX-UHFFFAOYSA-N
MW538.74 g/mol
LogP5.90
Rot. Bonds7

About 4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine

4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine (PubChem CID 174591781) has the molecular formula C33H42N6O and a molecular weight of 538.74 g/mol. Its IUPAC name is 4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine
PubChem CID174591781
Molecular FormulaC33H42N6O
Molecular Weight538.74 g/mol
Exact Mass538.34
IUPAC Name4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCc1nn(C2CCN(CC(C)C)CC2)c(C)c1-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3)c2n1
InChIInChI=1S/C33H42N6O/c1-23(2)21-37-14-12-28(13-15-37)39-25(4)32(24(3)36-39)31-20-34-30-7-5-6-29(33(30)35-31)27-10-8-26(9-11-27)22-38-16-18-40-19-17-38/h5-11,20,23,28H,12-19,21-22H2,1-4H3
InChIKeyOKGVSYHTPJSAMX-UHFFFAOYSA-N
XLogP5.90
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.74
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine with MolForge

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

Launch Full Analysis

Related Compounds

3-[[4-[4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]methyl]aniline
CID 168875087
4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine
CID 167418484
[2-methyl-4-[8-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 46885234
4-[[4-(8-bromoquinoxalin-2-yl)-2-methylphenyl]methyl]morpholine
CID 67539895
4-[8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]-N,N,2-trimethylbenzamide
CID 59392667
4-[[4-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrazin-2-yl]phenyl]methyl]morpholine
CID 146252703
4-[[4-fluoro-3-[4-[[3-(2-methylpropyl)imidazolidin-1-yl]methyl]phenyl]phenyl]methyl]morpholine
CID 91294277
4-[[4-[2-[3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrimidin-5-yl]phenyl]methyl]morpholine
CID 146241112
4-[[4-[2-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-1-yl]pyrimidin-5-yl]phenyl]methyl]morpholine
CID 146241111
4-[3-[4-[8-[4-[(1,1-dihydroxy-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]morpholine
CID 67538487
[2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59392747
4-[2-[4-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
CID 44526493

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine (CID 174591781) is 4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine is Cc1nn(C2CCN(CC(C)C)CC2)c(C)c1-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3)c2n1.
What is the InChIKey of 4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine?
The InChIKey is OKGVSYHTPJSAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O/c1-23(2)21-37-14-12-28(13-15-37)39-25(4)32(24(3)36-39)31-20-34-30-7-5-6-29(33(30)35-31)27-10-8-26(9-11-27)22-38-16-18-40-19-17-38/h5-11,20,23,28H,12-19,21-22H2,1-4H3.
What are the key properties of 4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine?
4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine has a molecular weight of 538.74 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-[3,5-dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 174591781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).