3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid

C71H84N8O8 — CID 137404756

IUPAC3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
SMILESCCc1cc(OCC2=C(c3cccc(-n4nc(-c5nn(-c6cccc(C7=C(COc8ccc(C9CCN(C(=O)C%10CC%10)CC9)c(CC)c8)C(C)CCC7)n6)c(CC)c5C(=O)O)c(C(=O)O)c4C)n3)CCCC2C)ccc1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C71H84N8O8/c1-7-45-38-51(26-28-53(45)47-30-34-76(35-31-47)68(80)49-22-23-49)86-40-57-42(4)14-10-16-55(57)59-18-12-20-62(72-59)78-44(6)64(70(82)83)66(74-78)67-65(71(84)85)61(9-3)79(75-67)63-21-13-19-60(73-63)56-17-11-15-43(5)58(56)41-87-52-27-29-54(46(8-2)39-52)48-32-36-77(37-33-48)69(81)50-24-25-50/h12-13,18-21,26-29,38-39,42-43,47-50H,7-11,14-17,22-25,30-37,40-41H2,1-6H3,(H,82,83)(H,84,85)
InChIKeyXPIUSQQYZAHBFO-UHFFFAOYSA-N
MW1177.50 g/mol
LogP13.44
Rot. Bonds20

About 3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid

3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid (PubChem CID 137404756) has the molecular formula C71H84N8O8 and a molecular weight of 1177.50 g/mol. Its IUPAC name is 3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
PubChem CID137404756
Molecular FormulaC71H84N8O8
Molecular Weight1177.50 g/mol
Exact Mass1176.64
IUPAC Name3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
SMILESCCc1cc(OCC2=C(c3cccc(-n4nc(-c5nn(-c6cccc(C7=C(COc8ccc(C9CCN(C(=O)C%10CC%10)CC9)c(CC)c8)C(C)CCC7)n6)c(CC)c5C(=O)O)c(C(=O)O)c4C)n3)CCCC2C)ccc1C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C71H84N8O8/c1-7-45-38-51(26-28-53(45)47-30-34-76(35-31-47)68(80)49-22-23-49)86-40-57-42(4)14-10-16-55(57)59-18-12-20-62(72-59)78-44(6)64(70(82)83)66(74-78)67-65(71(84)85)61(9-3)79(75-67)63-21-13-19-60(73-63)56-17-11-15-43(5)58(56)41-87-52-27-29-54(46(8-2)39-52)48-32-36-77(37-33-48)69(81)50-24-25-50/h12-13,18-21,26-29,38-39,42-43,47-50H,7-11,14-17,22-25,30-37,40-41H2,1-6H3,(H,82,83)(H,84,85)
InChIKeyXPIUSQQYZAHBFO-UHFFFAOYSA-N
XLogP13.44
TPSA195.10 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001177.50
LogP ≤ 513.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid 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

ethyl 1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylate
CID 130200054
5-ethyl-1-[6-[2-[[3-ethyl-4-[1-(2-hydroxypropanoyl)piperidin-4-yl]phenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 130200076
tert-butyl 4-[4-[[2-[6-(4-ethoxycarbonyl-5-methylpyrazol-1-yl)-2-pyridinyl]-6-methylcyclohexen-1-yl]methoxy]-2-ethylphenyl]piperidine-1-carboxylate
CID 130200039
ethyl 5-ethyl-1-[6-[2-[[3-ethyl-4-(1-methylpiperidin-4-yl)phenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]pyrazole-4-carboxylate
CID 137412713
1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]cyclohexen-1-yl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 118626304
1-[6-[3-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-5-methylthiophen-2-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
CID 130203079
tert-butyl 4-[2-ethyl-4-[[6-methyl-2-(trifluoromethylsulfonyloxy)cyclohexen-1-yl]methoxy]phenyl]piperidine-1-carboxylate
CID 130200045
1-[6-[3-[4-(1-ethoxycarbonylpiperidin-4-yl)-3-ethylphenoxy]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid
CID 118627985
[4-[4-[(7-bromo-2,3-dihydro-1H-inden-1-yl)oxy]-2-ethylphenyl]piperidin-1-yl]-cyclopropylmethanone
CID 118627923
5-amino-1-[6-[(3R)-3-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenyl]methyl]-2,3-dihydro-1H-inden-4-yl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 129246959
1-[3-[(3S)-3-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]-2,3-dihydro-1H-inden-4-yl]phenyl]-5-methoxypyrazole-4-carboxylic acid
CID 129246878
4-[4-[[(1S)-7-[6-(4-ethoxycarbonyl-5-methoxypyrazol-1-yl)-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-ethylphenyl]piperidine-1-carboxylic acid
CID 129246933

Frequently Asked Questions

What is the IUPAC name of 3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid (CID 137404756) is 3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid is CCc1cc(OCC2=C(c3cccc(-n4nc(-c5nn(-c6cccc(C7=C(COc8ccc(C9CCN(C(=O)C%10CC%10)CC9)c(CC)c8)C(C)CCC7)n6)c(CC)c5C(=O)O)c(C(=O)O)c4C)n3)CCCC2C)ccc1C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid?
The InChIKey is XPIUSQQYZAHBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H84N8O8/c1-7-45-38-51(26-28-53(45)47-30-34-76(35-31-47)68(80)49-22-23-49)86-40-57-42(4)14-10-16-55(57)59-18-12-20-62(72-59)78-44(6)64(70(82)83)66(74-78)67-65(71(84)85)61(9-3)79(75-67)63-21-13-19-60(73-63)56-17-11-15-43(5)58(56)41-87-52-27-29-54(46(8-2)39-52)48-32-36-77(37-33-48)69(81)50-24-25-50/h12-13,18-21,26-29,38-39,42-43,47-50H,7-11,14-17,22-25,30-37,40-41H2,1-6H3,(H,82,83)(H,84,85).
What are the key properties of 3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid?
3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid has a molecular weight of 1177.50 g/mol, XLogP of 13.44, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-carboxy-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-ethylpyrazol-3-yl]-1-[6-[2-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-ethylphenoxy]methyl]-3-methylcyclohexen-1-yl]-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 137404756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).