2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione

C48H53F3N10O5 — CID 155449248

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione
SMILESCN(CC1CCC(n2cc3cc(-c4n[nH]c(-c5cccc(C(F)(F)F)n5)n4)c(C(C)(C)O)cc3n2)CC1)C1CCC2(CC1)CC(Nc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C48H53F3N10O5/c1-46(2,66)33-21-36-27(20-32(33)41-55-42(57-56-41)35-8-5-9-38(53-35)48(49,50)51)25-60(58-36)30-12-10-26(11-13-30)24-59(3)29-16-18-47(19-17-29)22-28(23-47)52-34-7-4-6-31-40(34)45(65)61(44(31)64)37-14-15-39(62)54-43(37)63/h4-9,20-21,25-26,28-30,37,52,66H,10-19,22-24H2,1-3H3,(H,54,62,63)(H,55,56,57)
InChIKeyLCTVEDYTPHMORO-UHFFFAOYSA-N
MW907.01 g/mol
LogP7.40
Rot. Bonds10

About 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione (PubChem CID 155449248) has the molecular formula C48H53F3N10O5 and a molecular weight of 907.01 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione
PubChem CID155449248
Molecular FormulaC48H53F3N10O5
Molecular Weight907.01 g/mol
Exact Mass906.42
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione
SMILESCN(CC1CCC(n2cc3cc(-c4n[nH]c(-c5cccc(C(F)(F)F)n5)n4)c(C(C)(C)O)cc3n2)CC1)C1CCC2(CC1)CC(Nc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2
InChIInChI=1S/C48H53F3N10O5/c1-46(2,66)33-21-36-27(20-32(33)41-55-42(57-56-41)35-8-5-9-38(53-35)48(49,50)51)25-60(58-36)30-12-10-26(11-13-30)24-59(3)29-16-18-47(19-17-29)22-28(23-47)52-34-7-4-6-31-40(34)45(65)61(44(31)64)37-14-15-39(62)54-43(37)63/h4-9,20-21,25-26,28-30,37,52,66H,10-19,22-24H2,1-3H3,(H,54,62,63)(H,55,56,57)
InChIKeyLCTVEDYTPHMORO-UHFFFAOYSA-N
XLogP7.40
TPSA191.33 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500907.01
LogP ≤ 57.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione (CID 155449248) is 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione is CN(CC1CCC(n2cc3cc(-c4n[nH]c(-c5cccc(C(F)(F)F)n5)n4)c(C(C)(C)O)cc3n2)CC1)C1CCC2(CC1)CC(Nc1cccc3c1C(=O)N(C1CCC(=O)NC1=O)C3=O)C2.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione?
The InChIKey is LCTVEDYTPHMORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H53F3N10O5/c1-46(2,66)33-21-36-27(20-32(33)41-55-42(57-56-41)35-8-5-9-38(53-35)48(49,50)51)25-60(58-36)30-12-10-26(11-13-30)24-59(3)29-16-18-47(19-17-29)22-28(23-47)52-34-7-4-6-31-40(34)45(65)61(44(31)64)37-14-15-39(62)54-43(37)63/h4-9,20-21,25-26,28-30,37,52,66H,10-19,22-24H2,1-3H3,(H,54,62,63)(H,55,56,57).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione has a molecular weight of 907.01 g/mol, XLogP of 7.40, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[[4-[6-(2-hydroxypropan-2-yl)-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-2-yl]cyclohexyl]methyl-methylamino]spiro[3.5]nonan-2-yl]amino]isoindole-1,3-dione is sourced from PubChem (CID 155449248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).