8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

C27H34N6O3 — CID 170648298

About 8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 170648298) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

• Compound Name: 8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• PubChem CID: 170648298
• Molecular Formula: C27H34N6O3
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.27
• IUPAC Name: 8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• SMILES: CO[C@H]1CCN(CCO[C@@H](C)c2ccc(-c3ccc4nnc5c(c4c3)n(C(C)C)c(=O)n5C)cn2)C1
• InChI: InChI=1S/C27H34N6O3/c1-17(2)33-25-22-14-19(6-9-24(22)29-30-26(25)31(4)27(33)34)20-7-8-23(28-15-20)18(3)36-13-12-32-11-10-21(16-32)35-5/h6-9,14-15,17-18,21H,10-13,16H2,1-5H3/t18-,21-/m0/s1
• InChIKey: IKGKRWIUKIJCNT-RXVVDRJESA-N
• XLogP: 3.72
• TPSA: 87.30 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?

The IUPAC name of 8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 170648298) is 8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

What is the SMILES notation for 8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?

The canonical SMILES for 8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CO[C@H]1CCN(CCO[C@@H](C)c2ccc(-c3ccc4nnc5c(c4c3)n(C(C)C)c(=O)n5C)cn2)C1.

What is the InChIKey of 8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?

The InChIKey is IKGKRWIUKIJCNT-RXVVDRJESA-N. The full InChI is InChI=1S/C27H34N6O3/c1-17(2)33-25-22-14-19(6-9-24(22)29-30-26(25)31(4)27(33)34)20-7-8-23(28-15-20)18(3)36-13-12-32-11-10-21(16-32)35-5/h6-9,14-15,17-18,21H,10-13,16H2,1-5H3/t18-,21-/m0/s1.

What are the key properties of 8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one?

8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 490.61 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[(1S)-1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 170648298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).