(R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide

C22H27IN6OS — CID 155184999

About (R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide (PubChem CID 155184999) has the molecular formula C22H27IN6OS and a molecular weight of 550.47 g/mol. Its IUPAC name is (R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 155184999
• Molecular Formula: C22H27IN6OS
• Molecular Weight: 550.47 g/mol
• Exact Mass: 550.10
• IUPAC Name: (R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)[S@@](=O)N[C@H]1c2cccnc2CC12CCN(c1ncc(I)c3nccn13)CC2
• InChI: InChI=1S/C22H27IN6OS/c1-21(2,3)31(30)27-18-15-5-4-8-24-17(15)13-22(18)6-10-28(11-7-22)20-26-14-16(23)19-25-9-12-29(19)20/h4-5,8-9,12,14,18,27H,6-7,10-11,13H2,1-3H3/t18-,31+/m0/s1
• InChIKey: PWRNWBRYPPJNSU-FZEVHQGJSA-N
• XLogP: 3.66
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.47
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide (CID 155184999) is (R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H]1c2cccnc2CC12CCN(c1ncc(I)c3nccn13)CC2.

What is the InChIKey of (R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is PWRNWBRYPPJNSU-FZEVHQGJSA-N. The full InChI is InChI=1S/C22H27IN6OS/c1-21(2,3)31(30)27-18-15-5-4-8-24-17(15)13-22(18)6-10-28(11-7-22)20-26-14-16(23)19-25-9-12-29(19)20/h4-5,8-9,12,14,18,27H,6-7,10-11,13H2,1-3H3/t18-,31+/m0/s1.

What are the key properties of (R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide?

(R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 550.47 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 155184999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).