N-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C44H45F3N8O7 — CID 175664373

IUPACN-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC4(CC3)CCN(C(=O)C3CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)CC4)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C44H45F3N8O7/c1-62-35-23-32-26(21-33(35)49-38(57)31-3-2-4-36(48-31)44(45,46)47)24-54(51-32)27-9-13-43(14-10-27)15-19-53(20-16-43)40(59)25-11-17-52(18-12-25)28-5-6-29-30(22-28)42(61)55(41(29)60)34-7-8-37(56)50-39(34)58/h2-6,21-25,27,34H,7-20H2,1H3,(H,49,57)(H,50,56,58)
InChIKeyAWNWDRVICZLDQW-UHFFFAOYSA-N
MW854.89 g/mol
LogP5.75
Rot. Bonds7

About N-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 175664373) has the molecular formula C44H45F3N8O7 and a molecular weight of 854.89 g/mol. Its IUPAC name is N-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID175664373
Molecular FormulaC44H45F3N8O7
Molecular Weight854.89 g/mol
Exact Mass854.34
IUPAC NameN-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC4(CC3)CCN(C(=O)C3CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)CC4)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C44H45F3N8O7/c1-62-35-23-32-26(21-33(35)49-38(57)31-3-2-4-36(48-31)44(45,46)47)24-54(51-32)27-9-13-43(14-10-27)15-19-53(20-16-43)40(59)25-11-17-52(18-12-25)28-5-6-29-30(22-28)42(61)55(41(29)60)34-7-8-37(56)50-39(34)58/h2-6,21-25,27,34H,7-20H2,1H3,(H,49,57)(H,50,56,58)
InChIKeyAWNWDRVICZLDQW-UHFFFAOYSA-N
XLogP5.75
TPSA176.14 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500854.89
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-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-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 175664373) is N-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CCC4(CC3)CCN(C(=O)C3CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC3)CC4)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is AWNWDRVICZLDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45F3N8O7/c1-62-35-23-32-26(21-33(35)49-38(57)31-3-2-4-36(48-31)44(45,46)47)24-54(51-32)27-9-13-43(14-10-27)15-19-53(20-16-43)40(59)25-11-17-52(18-12-25)28-5-6-29-30(22-28)42(61)55(41(29)60)34-7-8-37(56)50-39(34)58/h2-6,21-25,27,34H,7-20H2,1H3,(H,49,57)(H,50,56,58).
What are the key properties of N-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 854.89 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-3-azaspiro[5.5]undecan-9-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 175664373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).