methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C26H29N5O6 — CID 137079756

About methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 137079756) has the molecular formula C26H29N5O6 and a molecular weight of 507.55 g/mol. Its IUPAC name is methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 137079756
• Molecular Formula: C26H29N5O6
• Molecular Weight: 507.55 g/mol
• Exact Mass: 507.21
• IUPAC Name: methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1c[nH]c2ccccc12
• InChI: InChI=1S/C26H29N5O6/c1-4-36-21-11-16(24-23(25(33)35-3)15(2)29-26(34)30-24)9-10-20(21)37-14-22(32)31-28-13-17-12-27-19-8-6-5-7-18(17)19/h5-13,22,24,27,31-32H,4,14H2,1-3H3,(H2,29,30,34)/b28-13-/t22-,24+/m0/s1
• InChIKey: VIDICEFHDXQWSS-URFBPECUSA-N
• XLogP: 2.69
• TPSA: 146.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.55
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 137079756) is methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1c[nH]c2ccccc12.

What is the InChIKey of methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is VIDICEFHDXQWSS-URFBPECUSA-N. The full InChI is InChI=1S/C26H29N5O6/c1-4-36-21-11-16(24-23(25(33)35-3)15(2)29-26(34)30-24)9-10-20(21)37-14-22(32)31-28-13-17-12-27-19-8-6-5-7-18(17)19/h5-13,22,24,27,31-32H,4,14H2,1-3H3,(H2,29,30,34)/b28-13-/t22-,24+/m0/s1.

What are the key properties of methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 507.55 g/mol, XLogP of 2.69, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (4R)-4-[3-ethoxy-4-[(2S)-2-hydroxy-2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 137079756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).