N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide

C75H75F9N14O24 — CID 159094504

IUPACN-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide
SMILESCN1CCOc2cc(C(=O)Nc3ccn(C4O[C@H](CO)[C@@H](O)C4(F)F)c(=O)n3)cnc21.O=C(Nc1ccn(C2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)c1cc(F)cc2c1OCCC2.O=C(Nc1ccn(C2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)c1ccc2c(c1)CCCO2.O=C(Nc1ccn(C2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)c1cccc2c1OCCC2
InChIInChI=1S/C19H18F3N3O6.2C19H19F2N3O6.C18H19F2N5O6/c20-10-6-9-2-1-5-30-14(9)11(7-10)16(28)23-13-3-4-25(18(29)24-13)17-19(21,22)15(27)12(8-26)31-17;20-19(21)15(26)12(9-25)30-17(19)24-7-6-13(23-18(24)28)22-16(27)11-5-1-3-10-4-2-8-29-14(10)11;20-19(21)15(26)13(9-25)30-17(19)24-6-5-14(23-18(24)28)22-16(27)11-3-4-12-10(8-11)2-1-7-29-12;1-24-4-5-30-10-6-9(7-21-14(10)24)15(28)22-12-2-3-25(17(29)23-12)16-18(19,20)13(27)11(8-26)31-16/h3-4,6-7,12,15,17,26-27H,1-2,5,8H2,(H,23,24,28,29);1,3,5-7,12,15,17,25-26H,2,4,8-9H2,(H,22,23,27,28);3-6,8,13,15,17,25-26H,1-2,7,9H2,(H,22,23,27,28);2-3,6-7,11,13,16,26-27H,4-5,8H2,1H3,(H,22,23,28,29)/t2*12-,15-,17?;13-,15-,17?;11-,13-,16?/m1111/s1
InChIKeyKCMMMJYTWMDBOE-UFYWGOQYSA-N
MW1727.48 g/mol
LogP1.86
Rot. Bonds16

About N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide

N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide (PubChem CID 159094504) has the molecular formula C75H75F9N14O24 and a molecular weight of 1727.48 g/mol. Its IUPAC name is N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide.

Molecular Properties

Compound NameN-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide
PubChem CID159094504
Molecular FormulaC75H75F9N14O24
Molecular Weight1727.48 g/mol
Exact Mass1726.49
IUPAC NameN-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide
SMILESCN1CCOc2cc(C(=O)Nc3ccn(C4O[C@H](CO)[C@@H](O)C4(F)F)c(=O)n3)cnc21.O=C(Nc1ccn(C2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)c1cc(F)cc2c1OCCC2.O=C(Nc1ccn(C2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)c1ccc2c(c1)CCCO2.O=C(Nc1ccn(C2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)c1cccc2c1OCCC2
InChIInChI=1S/C19H18F3N3O6.2C19H19F2N3O6.C18H19F2N5O6/c20-10-6-9-2-1-5-30-14(9)11(7-10)16(28)23-13-3-4-25(18(29)24-13)17-19(21,22)15(27)12(8-26)31-17;20-19(21)15(26)12(9-25)30-17(19)24-7-6-13(23-18(24)28)22-16(27)11-5-1-3-10-4-2-8-29-14(10)11;20-19(21)15(26)13(9-25)30-17(19)24-6-5-14(23-18(24)28)22-16(27)11-3-4-12-10(8-11)2-1-7-29-12;1-24-4-5-30-10-6-9(7-21-14(10)24)15(28)22-12-2-3-25(17(29)23-12)16-18(19,20)13(27)11(8-26)31-16/h3-4,6-7,12,15,17,26-27H,1-2,5,8H2,(H,23,24,28,29);1,3,5-7,12,15,17,25-26H,2,4,8-9H2,(H,22,23,27,28);3-6,8,13,15,17,25-26H,1-2,7,9H2,(H,22,23,27,28);2-3,6-7,11,13,16,26-27H,4-5,8H2,1H3,(H,22,23,28,29)/t2*12-,15-,17?;13-,15-,17?;11-,13-,16?/m1111/s1
InChIKeyKCMMMJYTWMDBOE-UFYWGOQYSA-N
XLogP1.86
TPSA507.77 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds16
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001727.48
LogP ≤ 51.86
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Analyze N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide?
The IUPAC name of N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide (CID 159094504) is N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide.
What is the SMILES notation for N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide?
The canonical SMILES for N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide is CN1CCOc2cc(C(=O)Nc3ccn(C4O[C@H](CO)[C@@H](O)C4(F)F)c(=O)n3)cnc21.O=C(Nc1ccn(C2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)c1cc(F)cc2c1OCCC2.O=C(Nc1ccn(C2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)c1ccc2c(c1)CCCO2.O=C(Nc1ccn(C2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)c1cccc2c1OCCC2.
What is the InChIKey of N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide?
The InChIKey is KCMMMJYTWMDBOE-UFYWGOQYSA-N. The full InChI is InChI=1S/C19H18F3N3O6.2C19H19F2N3O6.C18H19F2N5O6/c20-10-6-9-2-1-5-30-14(9)11(7-10)16(28)23-13-3-4-25(18(29)24-13)17-19(21,22)15(27)12(8-26)31-17;20-19(21)15(26)12(9-25)30-17(19)24-7-6-13(23-18(24)28)22-16(27)11-5-1-3-10-4-2-8-29-14(10)11;20-19(21)15(26)13(9-25)30-17(19)24-6-5-14(23-18(24)28)22-16(27)11-3-4-12-10(8-11)2-1-7-29-12;1-24-4-5-30-10-6-9(7-21-14(10)24)15(28)22-12-2-3-25(17(29)23-12)16-18(19,20)13(27)11(8-26)31-16/h3-4,6-7,12,15,17,26-27H,1-2,5,8H2,(H,23,24,28,29);1,3,5-7,12,15,17,25-26H,2,4,8-9H2,(H,22,23,27,28);3-6,8,13,15,17,25-26H,1-2,7,9H2,(H,22,23,27,28);2-3,6-7,11,13,16,26-27H,4-5,8H2,1H3,(H,22,23,28,29)/t2*12-,15-,17?;13-,15-,17?;11-,13-,16?/m1111/s1.
What are the key properties of N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide?
N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide has a molecular weight of 1727.48 g/mol, XLogP of 1.86, 16 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-6-fluoro-3,4-dihydro-2H-chromene-8-carboxamide;N-[1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxamide is sourced from PubChem (CID 159094504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).