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

C29H33N5O2 — CID 90301830

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

6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)-4-methylpyridine-3-carbonitrile (PubChem CID 90301830) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)-4-methylpyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)-4-methylpyridine-3-carbonitrile
• PubChem CID: 90301830
• Molecular Formula: C29H33N5O2
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.26
• IUPAC Name: 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)-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)ccn1
• InChI: InChI=1S/C29H33N5O2/c1-3-22-14-21(8-10-31-22)27-18(2)24(16-30)29(32-28(27)20-6-7-20)33-11-12-34(25(17-33)19-4-5-19)26(35)15-23-9-13-36-23/h3,8,10,14,19-20,23,25H,1,4-7,9,11-13,15,17H2,2H3/t23-,25+/m1/s1
• InChIKey: AWRRIPOGWJJWRR-NOZRDPDXSA-N
• XLogP: 4.45
• TPSA: 82.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)-4-methylpyridine-3-carbonitrile (CID 90301830) is 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)-4-methylpyridine-3-carbonitrile.

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

The canonical SMILES for 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)-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)ccn1.

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

The InChIKey is AWRRIPOGWJJWRR-NOZRDPDXSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-3-22-14-21(8-10-31-22)27-18(2)24(16-30)29(32-28(27)20-6-7-20)33-11-12-34(25(17-33)19-4-5-19)26(35)15-23-9-13-36-23/h3,8,10,14,19-20,23,25H,1,4-7,9,11-13,15,17H2,2H3/t23-,25+/m1/s1.

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

6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)-4-methylpyridine-3-carbonitrile has a molecular weight of 483.62 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-2-[(3R)-3-cyclopropyl-4-[2-[(2R)-oxetan-2-yl]acetyl]piperazin-1-yl]-5-(2-ethenyl-4-pyridinyl)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 90301830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).