2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide

C40H44F4N8O5 — CID 166471882

IUPAC2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCN(C(=O)CN4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5F)CC4)CC3)cc2cc1C(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C40H44F4N8O5/c1-23(2)57-33-20-32-25(18-29(33)38(55)47-35-5-3-4-34(46-35)40(42,43)44)21-52(49-32)27-12-16-51(17-13-27)37(54)22-50-14-10-24(11-15-50)28-7-6-26(19-30(28)41)45-31-8-9-36(53)48-39(31)56/h3-7,18-21,23-24,27,31,45H,8-17,22H2,1-2H3,(H,46,47,55)(H,48,53,56)
InChIKeyPGRYIIFLCWLXPX-UHFFFAOYSA-N
MW792.84 g/mol
LogP5.89
Rot. Bonds10

About 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide

2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide (PubChem CID 166471882) has the molecular formula C40H44F4N8O5 and a molecular weight of 792.84 g/mol. Its IUPAC name is 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide
PubChem CID166471882
Molecular FormulaC40H44F4N8O5
Molecular Weight792.84 g/mol
Exact Mass792.34
IUPAC Name2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide
SMILESCC(C)Oc1cc2nn(C3CCN(C(=O)CN4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5F)CC4)CC3)cc2cc1C(=O)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C40H44F4N8O5/c1-23(2)57-33-20-32-25(18-29(33)38(55)47-35-5-3-4-34(46-35)40(42,43)44)21-52(49-32)27-12-16-51(17-13-27)37(54)22-50-14-10-24(11-15-50)28-7-6-26(19-30(28)41)45-31-8-9-36(53)48-39(31)56/h3-7,18-21,23-24,27,31,45H,8-17,22H2,1-2H3,(H,46,47,55)(H,48,53,56)
InChIKeyPGRYIIFLCWLXPX-UHFFFAOYSA-N
XLogP5.89
TPSA150.79 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.84
LogP ≤ 55.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide?
The IUPAC name of 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide (CID 166471882) is 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide.
What is the SMILES notation for 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide?
The canonical SMILES for 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide is CC(C)Oc1cc2nn(C3CCN(C(=O)CN4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5F)CC4)CC3)cc2cc1C(=O)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide?
The InChIKey is PGRYIIFLCWLXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44F4N8O5/c1-23(2)57-33-20-32-25(18-29(33)38(55)47-35-5-3-4-34(46-35)40(42,43)44)21-52(49-32)27-12-16-51(17-13-27)37(54)22-50-14-10-24(11-15-50)28-7-6-26(19-30(28)41)45-31-8-9-36(53)48-39(31)56/h3-7,18-21,23-24,27,31,45H,8-17,22H2,1-2H3,(H,46,47,55)(H,48,53,56).
What are the key properties of 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide?
2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide has a molecular weight of 792.84 g/mol, XLogP of 5.89, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-6-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]indazole-5-carboxamide is sourced from PubChem (CID 166471882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).