N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide

C46H55FN8O7 — CID 155448708

IUPACN-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(CN4CCC(COCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(C)(C)F)n1
InChIInChI=1S/C46H55FN8O7/c1-46(2,47)39-10-5-9-34(49-39)42(57)50-36-23-30-26-54(52-35(30)24-38(36)61-3)31-13-11-28(12-14-31)25-53-20-17-29(18-21-53)27-62-22-6-19-48-33-8-4-7-32-41(33)45(60)55(44(32)59)37-15-16-40(56)51-43(37)58/h4-5,7-10,23-24,26,28-29,31,37,48H,6,11-22,25,27H2,1-3H3,(H,50,57)(H,51,56,58)
InChIKeyZVOJYPWVCSOKMQ-UHFFFAOYSA-N
MW850.99 g/mol
LogP6.26
Rot. Bonds15

About N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide

N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide (PubChem CID 155448708) has the molecular formula C46H55FN8O7 and a molecular weight of 850.99 g/mol. Its IUPAC name is N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
PubChem CID155448708
Molecular FormulaC46H55FN8O7
Molecular Weight850.99 g/mol
Exact Mass850.42
IUPAC NameN-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(CN4CCC(COCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(C)(C)F)n1
InChIInChI=1S/C46H55FN8O7/c1-46(2,47)39-10-5-9-34(49-39)42(57)50-36-23-30-26-54(52-35(30)24-38(36)61-3)31-13-11-28(12-14-31)25-53-20-17-29(18-21-53)27-62-22-6-19-48-33-8-4-7-32-41(33)45(60)55(44(32)59)37-15-16-40(56)51-43(37)58/h4-5,7-10,23-24,26,28-29,31,37,48H,6,11-22,25,27H2,1-3H3,(H,50,57)(H,51,56,58)
InChIKeyZVOJYPWVCSOKMQ-UHFFFAOYSA-N
XLogP6.26
TPSA177.09 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500850.99
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide (CID 155448708) is N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide is COc1cc2nn(C3CCC(CN4CCC(COCCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(C)(C)F)n1.
What is the InChIKey of N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?
The InChIKey is ZVOJYPWVCSOKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H55FN8O7/c1-46(2,47)39-10-5-9-34(49-39)42(57)50-36-23-30-26-54(52-35(30)24-38(36)61-3)31-13-11-28(12-14-31)25-53-20-17-29(18-21-53)27-62-22-6-19-48-33-8-4-7-32-41(33)45(60)55(44(32)59)37-15-16-40(56)51-43(37)58/h4-5,7-10,23-24,26,28-29,31,37,48H,6,11-22,25,27H2,1-3H3,(H,50,57)(H,51,56,58).
What are the key properties of N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide?
N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide has a molecular weight of 850.99 g/mol, XLogP of 6.26, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxymethyl]piperidin-1-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(2-fluoropropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 155448708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).