N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

C19H19F2N3O5 — CID 162646936

IUPACN-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H19F2N3O5/c20-19(21)15(26)13(9-25)29-17(19)24-7-6-14(23-18(24)28)22-16(27)12-5-4-10-2-1-3-11(10)8-12/h4-8,13,15,17,25-26H,1-3,9H2,(H,22,23,27,28)/t13-,15-,17-/m1/s1
InChIKeyRUYKROONYFJFLI-FRFSOERESA-N
MW407.37 g/mol
LogP0.87
Rot. Bonds4

About N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide

N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 162646936) has the molecular formula C19H19F2N3O5 and a molecular weight of 407.37 g/mol. Its IUPAC name is N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID162646936
Molecular FormulaC19H19F2N3O5
Molecular Weight407.37 g/mol
Exact Mass407.13
IUPAC NameN-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H19F2N3O5/c20-19(21)15(26)13(9-25)29-17(19)24-7-6-14(23-18(24)28)22-16(27)12-5-4-10-2-1-3-11(10)8-12/h4-8,13,15,17,25-26H,1-3,9H2,(H,22,23,27,28)/t13-,15-,17-/m1/s1
InChIKeyRUYKROONYFJFLI-FRFSOERESA-N
XLogP0.87
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide (CID 162646936) is N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is RUYKROONYFJFLI-FRFSOERESA-N. The full InChI is InChI=1S/C19H19F2N3O5/c20-19(21)15(26)13(9-25)29-17(19)24-7-6-14(23-18(24)28)22-16(27)12-5-4-10-2-1-3-11(10)8-12/h4-8,13,15,17,25-26H,1-3,9H2,(H,22,23,27,28)/t13-,15-,17-/m1/s1.
What are the key properties of N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 407.37 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 162646936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).