3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

C30H34N8O3 — CID 90684252

About 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684252) has the molecular formula C30H34N8O3 and a molecular weight of 554.66 g/mol. Its IUPAC name is 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

• Compound Name: 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
• PubChem CID: 90684252
• Molecular Formula: C30H34N8O3
• Molecular Weight: 554.66 g/mol
• Exact Mass: 554.28
• IUPAC Name: 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
• SMILES: CC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(C4NOC(=O)N4)nc(-c4cnccn4)c32)CC1
• InChI: InChI=1S/C30H34N8O3/c1-19-7-9-20(10-8-19)17-38-27-22(34-29(38)37-13-14-40-18-25(37)21-5-3-2-4-6-21)15-23(28-35-30(39)41-36-28)33-26(27)24-16-31-11-12-32-24/h2-6,11-12,15-16,19-20,25,28,36H,7-10,13-14,17-18H2,1H3,(H,35,39)/t19?,20?,25-,28?/m0/s1
• InChIKey: MKOMNDWFLJTKEW-TXNOZRASSA-N
• XLogP: 4.54
• TPSA: 119.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.66
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

The IUPAC name of 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684252) is 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

What is the SMILES notation for 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

The canonical SMILES for 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(C4NOC(=O)N4)nc(-c4cnccn4)c32)CC1.

What is the InChIKey of 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

The InChIKey is MKOMNDWFLJTKEW-TXNOZRASSA-N. The full InChI is InChI=1S/C30H34N8O3/c1-19-7-9-20(10-8-19)17-38-27-22(34-29(38)37-13-14-40-18-25(37)21-5-3-2-4-6-21)15-23(28-35-30(39)41-36-28)33-26(27)24-16-31-11-12-32-24/h2-6,11-12,15-16,19-20,25,28,36H,7-10,13-14,17-18H2,1H3,(H,35,39)/t19?,20?,25-,28?/m0/s1.

What are the key properties of 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 554.66 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrazin-2-ylimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).