N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C39H37F3N8O7 — CID 175664356

IUPACN-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCN(C4CCN(C(=O)c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C39H37F3N8O7/c1-57-31-19-28-22(18-29(31)44-34(52)27-3-2-4-32(43-27)39(40,41)42)20-49(46-28)24-11-13-47(14-12-24)23-9-15-48(16-10-23)36(54)21-5-6-25-26(17-21)38(56)50(37(25)55)30-7-8-33(51)45-35(30)53/h2-6,17-20,23-24,30H,7-16H2,1H3,(H,44,52)(H,45,51,53)
InChIKeyKKJVBZMTBUJJRO-UHFFFAOYSA-N
MW786.77 g/mol
LogP4.05
Rot. Bonds7

About N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 175664356) has the molecular formula C39H37F3N8O7 and a molecular weight of 786.77 g/mol. Its IUPAC name is N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID175664356
Molecular FormulaC39H37F3N8O7
Molecular Weight786.77 g/mol
Exact Mass786.27
IUPAC NameN-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCN(C4CCN(C(=O)c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C39H37F3N8O7/c1-57-31-19-28-22(18-29(31)44-34(52)27-3-2-4-32(43-27)39(40,41)42)20-49(46-28)24-11-13-47(14-12-24)23-9-15-48(16-10-23)36(54)21-5-6-25-26(17-21)38(56)50(37(25)55)30-7-8-33(51)45-35(30)53/h2-6,17-20,23-24,30H,7-16H2,1H3,(H,44,52)(H,45,51,53)
InChIKeyKKJVBZMTBUJJRO-UHFFFAOYSA-N
XLogP4.05
TPSA176.14 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.77
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 175664356) is N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CCN(C4CCN(C(=O)c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is KKJVBZMTBUJJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37F3N8O7/c1-57-31-19-28-22(18-29(31)44-34(52)27-3-2-4-32(43-27)39(40,41)42)20-49(46-28)24-11-13-47(14-12-24)23-9-15-48(16-10-23)36(54)21-5-6-25-26(17-21)38(56)50(37(25)55)30-7-8-33(51)45-35(30)53/h2-6,17-20,23-24,30H,7-16H2,1H3,(H,44,52)(H,45,51,53).
What are the key properties of N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 786.77 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 175664356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).