(R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C29H38N8O3S2 — CID 170683121

About (R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

(R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 170683121) has the molecular formula C29H38N8O3S2 and a molecular weight of 612.82 g/mol. Its IUPAC name is (R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 170683121
• Molecular Formula: C29H38N8O3S2
• Molecular Weight: 612.82 g/mol
• Exact Mass: 612.26
• IUPAC Name: (R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• SMILES: [2H]C1([2H])CN(C(=O)c2ncc(N3CCC4(CC3)Cc3ccc(OC)cc3C4N[S@](=O)C(C)(C)C)nc2N)Cc2sc(N)nc21
• InChI: InChI=1S/C29H38N8O3S2/c1-28(2,3)42(39)35-24-19-13-18(40-4)6-5-17(19)14-29(24)8-11-36(12-9-29)22-15-32-23(25(30)34-22)26(38)37-10-7-20-21(16-37)41-27(31)33-20/h5-6,13,15,24,35H,7-12,14,16H2,1-4H3,(H2,30,34)(H2,31,33)/t24?,42-/m1/s1/i7D2
• InChIKey: OGJKVYFFDFDQGM-LNAGFFBYSA-N
• XLogP: 3.24
• TPSA: 152.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	612.82
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 170683121) is (R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is [2H]C1([2H])CN(C(=O)c2ncc(N3CCC4(CC3)Cc3ccc(OC)cc3C4N[S@](=O)C(C)(C)C)nc2N)Cc2sc(N)nc21.

What is the InChIKey of (R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is OGJKVYFFDFDQGM-LNAGFFBYSA-N. The full InChI is InChI=1S/C29H38N8O3S2/c1-28(2,3)42(39)35-24-19-13-18(40-4)6-5-17(19)14-29(24)8-11-36(12-9-29)22-15-32-23(25(30)34-22)26(38)37-10-7-20-21(16-37)41-27(31)33-20/h5-6,13,15,24,35H,7-12,14,16H2,1-4H3,(H2,30,34)(H2,31,33)/t24?,42-/m1/s1/i7D2.

What are the key properties of (R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

(R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 612.82 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170683121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).