N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide

C50H80F3N3O5Si3 — CID 86682507

IUPACN-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESCC(C)[Si](OC[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C50H80F3N3O5Si3/c1-29(2)62(30(3)4,31(5)6)58-28-46-49(61-64(35(13)14,36(15)16)37(17)18)45(60-63(32(7)8,33(9)10)34(11)12)26-44(59-46)38-24-25-54-27-43(38)56-50(57)42-23-22-41(53)48(55-42)47-39(51)20-19-21-40(47)52/h19-25,27,29-37,44-46,49H,26,28H2,1-18H3,(H,56,57)/t44-,45-,46-,49+/m1/s1
InChIKeyJIFNVGKVYFKGRD-MJFRGHMASA-N
MW944.46 g/mol
LogP14.96
Rot. Bonds20

About N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide

N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide (PubChem CID 86682507) has the molecular formula C50H80F3N3O5Si3 and a molecular weight of 944.46 g/mol. Its IUPAC name is N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
PubChem CID86682507
Molecular FormulaC50H80F3N3O5Si3
Molecular Weight944.46 g/mol
Exact Mass943.54
IUPAC NameN-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
SMILESCC(C)[Si](OC[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C50H80F3N3O5Si3/c1-29(2)62(30(3)4,31(5)6)58-28-46-49(61-64(35(13)14,36(15)16)37(17)18)45(60-63(32(7)8,33(9)10)34(11)12)26-44(59-46)38-24-25-54-27-43(38)56-50(57)42-23-22-41(53)48(55-42)47-39(51)20-19-21-40(47)52/h19-25,27,29-37,44-46,49H,26,28H2,1-18H3,(H,56,57)/t44-,45-,46-,49+/m1/s1
InChIKeyJIFNVGKVYFKGRD-MJFRGHMASA-N
XLogP14.96
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.46
LogP ≤ 514.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide (CID 86682507) is N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide is CC(C)[Si](OC[C@H]1O[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
The InChIKey is JIFNVGKVYFKGRD-MJFRGHMASA-N. The full InChI is InChI=1S/C50H80F3N3O5Si3/c1-29(2)62(30(3)4,31(5)6)58-28-46-49(61-64(35(13)14,36(15)16)37(17)18)45(60-63(32(7)8,33(9)10)34(11)12)26-44(59-46)38-24-25-54-27-43(38)56-50(57)42-23-22-41(53)48(55-42)47-39(51)20-19-21-40(47)52/h19-25,27,29-37,44-46,49H,26,28H2,1-18H3,(H,56,57)/t44-,45-,46-,49+/m1/s1.
What are the key properties of N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide?
N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide has a molecular weight of 944.46 g/mol, XLogP of 14.96, 20 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,4R,5R,6R)-4,5-bis[tri(propan-2-yl)silyloxy]-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 86682507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).