(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate

C43H24F6N6O8 — CID 159247498

IUPAC(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate
SMILESNc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cn7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)nc1
InChIInChI=1S/C43H24F6N6O8/c44-42(45,46)41(43(47,48)49,23-3-9-27(10-4-23)54-35(56)29-13-1-21(17-31(29)37(54)58)39(60)62-33-15-7-25(50)19-52-33)24-5-11-28(12-6-24)55-36(57)30-14-2-22(18-32(30)38(55)59)40(61)63-34-16-8-26(51)20-53-34/h1-20H,50-51H2
InChIKeyBDBJDOUHOZQYPF-UHFFFAOYSA-N
MW866.69 g/mol
LogP7.09
Rot. Bonds8

About (5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate

(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate (PubChem CID 159247498) has the molecular formula C43H24F6N6O8 and a molecular weight of 866.69 g/mol. Its IUPAC name is (5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Name(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate
PubChem CID159247498
Molecular FormulaC43H24F6N6O8
Molecular Weight866.69 g/mol
Exact Mass866.16
IUPAC Name(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate
SMILESNc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cn7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)nc1
InChIInChI=1S/C43H24F6N6O8/c44-42(45,46)41(43(47,48)49,23-3-9-27(10-4-23)54-35(56)29-13-1-21(17-31(29)37(54)58)39(60)62-33-15-7-25(50)19-52-33)24-5-11-28(12-6-24)55-36(57)30-14-2-22(18-32(30)38(55)59)40(61)63-34-16-8-26(51)20-53-34/h1-20H,50-51H2
InChIKeyBDBJDOUHOZQYPF-UHFFFAOYSA-N
XLogP7.09
TPSA205.18 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500866.69
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of (5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate (CID 159247498) is (5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for (5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for (5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate is Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cn7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)nc1.
What is the InChIKey of (5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is BDBJDOUHOZQYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24F6N6O8/c44-42(45,46)41(43(47,48)49,23-3-9-27(10-4-23)54-35(56)29-13-1-21(17-31(29)37(54)58)39(60)62-33-15-7-25(50)19-52-33)24-5-11-28(12-6-24)55-36(57)30-14-2-22(18-32(30)38(55)59)40(61)63-34-16-8-26(51)20-53-34/h1-20H,50-51H2.
What are the key properties of (5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate?
(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 866.69 g/mol, XLogP of 7.09, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 159247498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).