(6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one

C20H27N5O3 — CID 156587013

About (6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one

(6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 156587013) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is (6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

• Compound Name: (6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one
• PubChem CID: 156587013
• Molecular Formula: C20H27N5O3
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.21
• IUPAC Name: (6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one
• SMILES: COCCN1CCC[C@@]2(CCCN(C(=O)c3cnc4cccnn34)[C@@H]2C)C1=O
• InChI: InChI=1S/C20H27N5O3/c1-15-20(7-4-10-23(19(20)27)12-13-28-2)8-5-11-24(15)18(26)16-14-21-17-6-3-9-22-25(16)17/h3,6,9,14-15H,4-5,7-8,10-13H2,1-2H3/t15-,20+/m1/s1
• InChIKey: CTCVLVDHZLNHJP-QRWLVFNGSA-N
• XLogP: 1.61
• TPSA: 80.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one?

The IUPAC name of (6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one (CID 156587013) is (6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one.

What is the SMILES notation for (6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one?

The canonical SMILES for (6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one is COCCN1CCC[C@@]2(CCCN(C(=O)c3cnc4cccnn34)[C@@H]2C)C1=O.

What is the InChIKey of (6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one?

The InChIKey is CTCVLVDHZLNHJP-QRWLVFNGSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-15-20(7-4-10-23(19(20)27)12-13-28-2)8-5-11-24(15)18(26)16-14-21-17-6-3-9-22-25(16)17/h3,6,9,14-15H,4-5,7-8,10-13H2,1-2H3/t15-,20+/m1/s1.

What are the key properties of (6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one?

(6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 385.47 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,7R)-8-(imidazo[1,2-b]pyridazine-3-carbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 156587013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).