N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide

C26H24N8O4 — CID 88973858

About N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide

N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide (PubChem CID 88973858) has the molecular formula C26H24N8O4 and a molecular weight of 512.53 g/mol. Its IUPAC name is N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide.

Molecular Properties

• Compound Name: N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide
• PubChem CID: 88973858
• Molecular Formula: C26H24N8O4
• Molecular Weight: 512.53 g/mol
• Exact Mass: 512.19
• IUPAC Name: N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc(-c3cncc(-c4nnn(C)n4)c3)cc1)C2
• InChI: InChI=1S/C26H24N8O4/c1-33-31-24(30-32-33)20-9-19(11-27-12-20)16-3-5-17(6-4-16)23(29-26(37)28-15-35)14-34-13-18-7-8-21(38-2)10-22(18)25(34)36/h3-12,15,23H,13-14H2,1-2H3,(H2,28,29,35,37)/t23-/m0/s1
• InChIKey: YNERWFUXUFMSHY-QHCPKHFHSA-N
• XLogP: 2.10
• TPSA: 144.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.53
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide?

The IUPAC name of N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide (CID 88973858) is N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide.

What is the SMILES notation for N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide?

The canonical SMILES for N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide is COc1ccc2c(c1)C(=O)N(C[C@H](NC(=O)NC=O)c1ccc(-c3cncc(-c4nnn(C)n4)c3)cc1)C2.

What is the InChIKey of N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide?

The InChIKey is YNERWFUXUFMSHY-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24N8O4/c1-33-31-24(30-32-33)20-9-19(11-27-12-20)16-3-5-17(6-4-16)23(29-26(37)28-15-35)14-34-13-18-7-8-21(38-2)10-22(18)25(34)36/h3-12,15,23H,13-14H2,1-2H3,(H2,28,29,35,37)/t23-/m0/s1.

What are the key properties of N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide?

N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide has a molecular weight of 512.53 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1R)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1-[4-[5-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]ethyl]carbamoyl]formamide is sourced from PubChem (CID 88973858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).