N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide

C36H38N4O7 — CID 15867893

About N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide

N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide (PubChem CID 15867893) has the molecular formula C36H38N4O7 and a molecular weight of 638.72 g/mol. Its IUPAC name is N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide
• PubChem CID: 15867893
• Molecular Formula: C36H38N4O7
• Molecular Weight: 638.72 g/mol
• Exact Mass: 638.27
• IUPAC Name: N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide
• SMILES: COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4c(NC(=O)C(C)C)[nH]c(=O)nc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C36H38N4O7/c1-22(2)34(42)37-32-28-18-19-40(33(28)39-35(43)38-32)31-20-29(41)30(47-31)21-46-36(23-8-6-5-7-9-23,24-10-14-26(44-3)15-11-24)25-12-16-27(45-4)17-13-25/h5-19,22,29-31,41H,20-21H2,1-4H3,(H2,37,38,39,42,43)/t29-,30+,31+/m0/s1
• InChIKey: FCDBXUAZKSUUIE-OJDZSJEKSA-N
• XLogP: 4.99
• TPSA: 136.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.72
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide?

The IUPAC name of N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide (CID 15867893) is N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide.

What is the SMILES notation for N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide?

The canonical SMILES for N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide is COc1ccc(C(OC[C@H]2O[C@@H](n3ccc4c(NC(=O)C(C)C)[nH]c(=O)nc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.

What is the InChIKey of N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide?

The InChIKey is FCDBXUAZKSUUIE-OJDZSJEKSA-N. The full InChI is InChI=1S/C36H38N4O7/c1-22(2)34(42)37-32-28-18-19-40(33(28)39-35(43)38-32)31-20-29(41)30(47-31)21-46-36(23-8-6-5-7-9-23,24-10-14-26(44-3)15-11-24)25-12-16-27(45-4)17-13-25/h5-19,22,29-31,41H,20-21H2,1-4H3,(H2,37,38,39,42,43)/t29-,30+,31+/m0/s1.

What are the key properties of N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide?

N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide has a molecular weight of 638.72 g/mol, XLogP of 4.99, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxo-3H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 15867893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).