N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide

C45H47F2N9O8 — CID 175664399

IUPACN-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5(F)F)CC4)C3)cc2cc1NC(=O)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C45H47F2N9O8/c1-63-36-21-33-26(19-34(36)49-39(58)32-3-2-4-37(48-32)52-15-17-64-18-16-52)24-55(51-33)28-22-44(23-28)10-13-53(14-11-44)43(62)31-9-12-54(25-45(31,46)47)27-5-6-29-30(20-27)42(61)56(41(29)60)35-7-8-38(57)50-40(35)59/h2-6,19-21,24,28,31,35H,7-18,22-23,25H2,1H3,(H,49,58)(H,50,57,59)
InChIKeyKCVKMFKEQJCIQG-UHFFFAOYSA-N
MW879.92 g/mol
LogP4.04
Rot. Bonds8

About N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide

N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 175664399) has the molecular formula C45H47F2N9O8 and a molecular weight of 879.92 g/mol. Its IUPAC name is N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
PubChem CID175664399
Molecular FormulaC45H47F2N9O8
Molecular Weight879.92 g/mol
Exact Mass879.35
IUPAC NameN-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5(F)F)CC4)C3)cc2cc1NC(=O)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C45H47F2N9O8/c1-63-36-21-33-26(19-34(36)49-39(58)32-3-2-4-37(48-32)52-15-17-64-18-16-52)24-55(51-33)28-22-44(23-28)10-13-53(14-11-44)43(62)31-9-12-54(25-45(31,46)47)27-5-6-29-30(20-27)42(61)56(41(29)60)35-7-8-38(57)50-40(35)59/h2-6,19-21,24,28,31,35H,7-18,22-23,25H2,1H3,(H,49,58)(H,50,57,59)
InChIKeyKCVKMFKEQJCIQG-UHFFFAOYSA-N
XLogP4.04
TPSA188.61 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.92
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide (CID 175664399) is N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide is COc1cc2nn(C3CC4(CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5(F)F)CC4)C3)cc2cc1NC(=O)c1cccc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is KCVKMFKEQJCIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47F2N9O8/c1-63-36-21-33-26(19-34(36)49-39(58)32-3-2-4-37(48-32)52-15-17-64-18-16-52)24-55(51-33)28-22-44(23-28)10-13-53(14-11-44)43(62)31-9-12-54(25-45(31,46)47)27-5-6-29-30(20-27)42(61)56(41(29)60)35-7-8-38(57)50-40(35)59/h2-6,19-21,24,28,31,35H,7-18,22-23,25H2,1H3,(H,49,58)(H,50,57,59).
What are the key properties of N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide?
N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 879.92 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3,3-difluoropiperidine-4-carbonyl]-7-azaspiro[3.5]nonan-2-yl]-6-methoxyindazol-5-yl]-6-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 175664399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).