3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one

C28H36N6O2 — CID 170648368

About 3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one

3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one (PubChem CID 170648368) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one.

Molecular Properties

• Compound Name: 3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one
• PubChem CID: 170648368
• Molecular Formula: C28H36N6O2
• Molecular Weight: 488.64 g/mol
• Exact Mass: 488.29
• IUPAC Name: 3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one
• SMILES: CCCC(OCCN1CCCC1)c1ccc(-c2ccc3nnc4c(c3c2)n(C(C)C)c(=O)n4C)cn1
• InChI: InChI=1S/C28H36N6O2/c1-5-8-25(36-16-15-33-13-6-7-14-33)24-12-10-21(18-29-24)20-9-11-23-22(17-20)26-27(31-30-23)32(4)28(35)34(26)19(2)3/h9-12,17-19,25H,5-8,13-16H2,1-4H3
• InChIKey: IZIVKJJIXPOZAF-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 78.07 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.64
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one?

The IUPAC name of 3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one (CID 170648368) is 3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one.

What is the SMILES notation for 3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one?

The canonical SMILES for 3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one is CCCC(OCCN1CCCC1)c1ccc(-c2ccc3nnc4c(c3c2)n(C(C)C)c(=O)n4C)cn1.

What is the InChIKey of 3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one?

The InChIKey is IZIVKJJIXPOZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-5-8-25(36-16-15-33-13-6-7-14-33)24-12-10-21(18-29-24)20-9-11-23-22(17-20)26-27(31-30-23)32(4)28(35)34(26)19(2)3/h9-12,17-19,25H,5-8,13-16H2,1-4H3.

What are the key properties of 3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one?

3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one has a molecular weight of 488.64 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-propan-2-yl-8-[6-[1-(2-pyrrolidin-1-ylethoxy)butyl]-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 170648368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).