8-[6-[(1R)-1-(2-hydroxyethoxy)ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

C22H25N5O3 — CID 170648214

About 8-[6-[(1R)-1-(2-hydroxyethoxy)ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one

8-[6-[(1R)-1-(2-hydroxyethoxy)ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (PubChem CID 170648214) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 8-[6-[(1R)-1-(2-hydroxyethoxy)ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

Molecular Properties

• Compound Name: 8-[6-[(1R)-1-(2-hydroxyethoxy)ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• PubChem CID: 170648214
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: 8-[6-[(1R)-1-(2-hydroxyethoxy)ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
• SMILES: CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc([C@@H](C)OCCO)nc4)cc3c21
• InChI: InChI=1S/C22H25N5O3/c1-13(2)27-20-17-11-15(5-8-19(17)24-25-21(20)26(4)22(27)29)16-6-7-18(23-12-16)14(3)30-10-9-28/h5-8,11-14,28H,9-10H2,1-4H3/t14-/m1/s1
• InChIKey: OBKLZKVFGJUJHP-CQSZACIVSA-N
• XLogP: 3.00
• TPSA: 95.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 8-[6-[(1R)-1-(2-hydroxyethoxy)ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one (CID 170648214) is 8-[6-[(1R)-1-(2-hydroxyethoxy)ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one.

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

The canonical SMILES for 8-[6-[(1R)-1-(2-hydroxyethoxy)ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is CC(C)n1c(=O)n(C)c2nnc3ccc(-c4ccc([C@@H](C)OCCO)nc4)cc3c21.

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

The InChIKey is OBKLZKVFGJUJHP-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13(2)27-20-17-11-15(5-8-19(17)24-25-21(20)26(4)22(27)29)16-6-7-18(23-12-16)14(3)30-10-9-28/h5-8,11-14,28H,9-10H2,1-4H3/t14-/m1/s1.

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

8-[6-[(1R)-1-(2-hydroxyethoxy)ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one has a molecular weight of 407.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-[(1R)-1-(2-hydroxyethoxy)ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 170648214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).