6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide

C38H36ClFN8O6 — CID 168872101

IUPAC6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide
SMILESN#Cc1ccc(OC2CCC(N3C(=O)CC[C@@H](N4C(=O)c5cc(CN6C[C@H]7CC[C@H](C6)N7c6ccc(C(N)=O)nn6)cc(F)c5C4=O)C3=O)CC2)cc1Cl
InChIInChI=1S/C38H36ClFN8O6/c39-28-15-26(6-1-21(28)16-41)54-25-7-4-22(5-8-25)47-33(49)12-10-31(37(47)52)48-36(51)27-13-20(14-29(40)34(27)38(48)53)17-45-18-23-2-3-24(19-45)46(23)32-11-9-30(35(42)50)43-44-32/h1,6,9,11,13-15,22-25,31H,2-5,7-8,10,12,17-19H2,(H2,42,50)/t22?,23-,24-,25?,31-/m1/s1
InChIKeyZZCWISXEAQFQMB-MZITWDJGSA-N
MW755.21 g/mol
LogP3.60
Rot. Bonds8

About 6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide

6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide (PubChem CID 168872101) has the molecular formula C38H36ClFN8O6 and a molecular weight of 755.21 g/mol. Its IUPAC name is 6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide
PubChem CID168872101
Molecular FormulaC38H36ClFN8O6
Molecular Weight755.21 g/mol
Exact Mass754.24
IUPAC Name6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide
SMILESN#Cc1ccc(OC2CCC(N3C(=O)CC[C@@H](N4C(=O)c5cc(CN6C[C@H]7CC[C@H](C6)N7c6ccc(C(N)=O)nn6)cc(F)c5C4=O)C3=O)CC2)cc1Cl
InChIInChI=1S/C38H36ClFN8O6/c39-28-15-26(6-1-21(28)16-41)54-25-7-4-22(5-8-25)47-33(49)12-10-31(37(47)52)48-36(51)27-13-20(14-29(40)34(27)38(48)53)17-45-18-23-2-3-24(19-45)46(23)32-11-9-30(35(42)50)43-44-32/h1,6,9,11,13-15,22-25,31H,2-5,7-8,10,12,17-19H2,(H2,42,50)/t22?,23-,24-,25?,31-/m1/s1
InChIKeyZZCWISXEAQFQMB-MZITWDJGSA-N
XLogP3.60
TPSA183.13 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide with MolForge

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Related Compounds

6-[(1R,5R)-6-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridazine-3-carboxamide
CID 168872793
5-[(1R,5R)-6-[[4-[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]pyrazine-2-carboxamide
CID 162786063
5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide
CID 162786065
5-[7-[1-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 162786054
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide
CID 155218984
5-[4-[[4-[2-[1-[4-(8-cyanoquinolin-5-yl)oxycyclohexyl]-2,6-dioxopiperidin-3-yl]-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 156663271
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(4-oxopiperidin-1-yl)pyridazine-3-carboxamide
CID 155212141
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-2-yl]pyridazine-3-carboxamide
CID 155218455
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]pyridazine-3-carboxamide
CID 155218466
6-[4-[[7-[3-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-6-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 162767846
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-2-azaspiro[3.5]non-6-en-2-yl]pyridazine-3-carboxamide
CID 166981152
2-[4-[6-[[4-(3-chloro-4-cyanophenoxy)cyclohexyl]carbamoyl]pyridazin-3-yl]piperazin-1-yl]acetic acid
CID 169195103

Frequently Asked Questions

What is the IUPAC name of 6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide (CID 168872101) is 6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide is N#Cc1ccc(OC2CCC(N3C(=O)CC[C@@H](N4C(=O)c5cc(CN6C[C@H]7CC[C@H](C6)N7c6ccc(C(N)=O)nn6)cc(F)c5C4=O)C3=O)CC2)cc1Cl.
What is the InChIKey of 6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide?
The InChIKey is ZZCWISXEAQFQMB-MZITWDJGSA-N. The full InChI is InChI=1S/C38H36ClFN8O6/c39-28-15-26(6-1-21(28)16-41)54-25-7-4-22(5-8-25)47-33(49)12-10-31(37(47)52)48-36(51)27-13-20(14-29(40)34(27)38(48)53)17-45-18-23-2-3-24(19-45)46(23)32-11-9-30(35(42)50)43-44-32/h1,6,9,11,13-15,22-25,31H,2-5,7-8,10,12,17-19H2,(H2,42,50)/t22?,23-,24-,25?,31-/m1/s1.
What are the key properties of 6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide?
6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide has a molecular weight of 755.21 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,5R)-3-[[2-[(3R)-1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-7-fluoro-1,3-dioxoisoindol-5-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 168872101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).