2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide

C41H49N7O5 — CID 176797259

IUPAC2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(CCN4CCN(c5ccc(C6CCC(=O)N(c7cccn(C8CC8)c7=O)C6=O)c(C)c5)CC4)CC3)cc2cc1C(N)=O
InChIInChI=1S/C41H49N7O5/c1-26-22-31(11-12-32(26)33-13-14-38(49)48(40(33)51)36-4-3-16-46(41(36)52)29-9-10-29)45-20-18-44(19-21-45)17-15-27-5-7-30(8-6-27)47-25-28-23-34(39(42)50)37(53-2)24-35(28)43-47/h3-4,11-12,16,22-25,27,29-30,33H,5-10,13-15,17-21H2,1-2H3,(H2,42,50)
InChIKeyVEYLWNLSJPYWKJ-UHFFFAOYSA-N
MW719.89 g/mol
LogP5.33
Rot. Bonds10

About 2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide

2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide (PubChem CID 176797259) has the molecular formula C41H49N7O5 and a molecular weight of 719.89 g/mol. Its IUPAC name is 2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide
PubChem CID176797259
Molecular FormulaC41H49N7O5
Molecular Weight719.89 g/mol
Exact Mass719.38
IUPAC Name2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(CCN4CCN(c5ccc(C6CCC(=O)N(c7cccn(C8CC8)c7=O)C6=O)c(C)c5)CC4)CC3)cc2cc1C(N)=O
InChIInChI=1S/C41H49N7O5/c1-26-22-31(11-12-32(26)33-13-14-38(49)48(40(33)51)36-4-3-16-46(41(36)52)29-9-10-29)45-20-18-44(19-21-45)17-15-27-5-7-30(8-6-27)47-25-28-23-34(39(42)50)37(53-2)24-35(28)43-47/h3-4,11-12,16,22-25,27,29-30,33H,5-10,13-15,17-21H2,1-2H3,(H2,42,50)
InChIKeyVEYLWNLSJPYWKJ-UHFFFAOYSA-N
XLogP5.33
TPSA136.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide?
The IUPAC name of 2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide (CID 176797259) is 2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide.
What is the SMILES notation for 2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide?
The canonical SMILES for 2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide is COc1cc2nn(C3CCC(CCN4CCN(c5ccc(C6CCC(=O)N(c7cccn(C8CC8)c7=O)C6=O)c(C)c5)CC4)CC3)cc2cc1C(N)=O.
What is the InChIKey of 2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide?
The InChIKey is VEYLWNLSJPYWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49N7O5/c1-26-22-31(11-12-32(26)33-13-14-38(49)48(40(33)51)36-4-3-16-46(41(36)52)29-9-10-29)45-20-18-44(19-21-45)17-15-27-5-7-30(8-6-27)47-25-28-23-34(39(42)50)37(53-2)24-35(28)43-47/h3-4,11-12,16,22-25,27,29-30,33H,5-10,13-15,17-21H2,1-2H3,(H2,42,50).
What are the key properties of 2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide?
2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide has a molecular weight of 719.89 g/mol, XLogP of 5.33, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[4-[1-(1-cyclopropyl-2-oxo-3-pyridinyl)-2,6-dioxopiperidin-3-yl]-3-methylphenyl]piperazin-1-yl]ethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide is sourced from PubChem (CID 176797259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).