5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile

C30H32N6O2 — CID 89288317

About 5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile

5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile (PubChem CID 89288317) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile
• PubChem CID: 89288317
• Molecular Formula: C30H32N6O2
• Molecular Weight: 508.63 g/mol
• Exact Mass: 508.26
• IUPAC Name: 5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile
• SMILES: C=Cc1cc(-c2c(C3CC3)nc(N3CCN(C(=O)C[C@H]4CCO4)[C@H](C4CC4)C3)c(C#N)c2C)c(C#N)cn1
• InChI: InChI=1S/C30H32N6O2/c1-3-22-12-24(21(14-31)16-33-22)28-18(2)25(15-32)30(34-29(28)20-6-7-20)35-9-10-36(26(17-35)19-4-5-19)27(37)13-23-8-11-38-23/h3,12,16,19-20,23,26H,1,4-11,13,17H2,2H3/t23-,26+/m1/s1
• InChIKey: DGJIWLPWAJPIKS-BVAGGSTKSA-N
• XLogP: 4.32
• TPSA: 106.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.63
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile?

The IUPAC name of 5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile (CID 89288317) is 5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile.

What is the SMILES notation for 5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile?

The canonical SMILES for 5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile is C=Cc1cc(-c2c(C3CC3)nc(N3CCN(C(=O)C[C@H]4CCO4)[C@H](C4CC4)C3)c(C#N)c2C)c(C#N)cn1.

What is the InChIKey of 5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile?

The InChIKey is DGJIWLPWAJPIKS-BVAGGSTKSA-N. The full InChI is InChI=1S/C30H32N6O2/c1-3-22-12-24(21(14-31)16-33-22)28-18(2)25(15-32)30(34-29(28)20-6-7-20)35-9-10-36(26(17-35)19-4-5-19)27(37)13-23-8-11-38-23/h3,12,16,19-20,23,26H,1,4-11,13,17H2,2H3/t23-,26+/m1/s1.

What are the key properties of 5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile?

5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile has a molecular weight of 508.63 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 89288317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).