[3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone

C25H30N8OS — CID 170682891

About [3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone

[3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone (PubChem CID 170682891) has the molecular formula C25H30N8OS and a molecular weight of 492.65 g/mol. Its IUPAC name is [3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone.

Molecular Properties

• Compound Name: [3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
• PubChem CID: 170682891
• Molecular Formula: C25H30N8OS
• Molecular Weight: 492.65 g/mol
• Exact Mass: 492.24
• IUPAC Name: [3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
• SMILES: [2H]C1([2H])CN(C(=O)c2ncc(N3CCC4(CC3)Cc3ccc(C)cc3[C@H]4N)nc2N)Cc2sc(N)nc21
• InChI: InChI=1S/C25H30N8OS/c1-14-2-3-15-11-25(21(26)16(15)10-14)5-8-32(9-6-25)19-12-29-20(22(27)31-19)23(34)33-7-4-17-18(13-33)35-24(28)30-17/h2-3,10,12,21H,4-9,11,13,26H2,1H3,(H2,27,31)(H2,28,30)/t21-/m1/s1/i4D2
• InChIKey: KQFORIKBFKECBQ-FTAQFHGPSA-N
• XLogP: 2.45
• TPSA: 140.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.65
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?

The IUPAC name of [3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone (CID 170682891) is [3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone.

What is the SMILES notation for [3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?

The canonical SMILES for [3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone is [2H]C1([2H])CN(C(=O)c2ncc(N3CCC4(CC3)Cc3ccc(C)cc3[C@H]4N)nc2N)Cc2sc(N)nc21.

What is the InChIKey of [3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?

The InChIKey is KQFORIKBFKECBQ-FTAQFHGPSA-N. The full InChI is InChI=1S/C25H30N8OS/c1-14-2-3-15-11-25(21(26)16(15)10-14)5-8-32(9-6-25)19-12-29-20(22(27)31-19)23(34)33-7-4-17-18(13-33)35-24(28)30-17/h2-3,10,12,21H,4-9,11,13,26H2,1H3,(H2,27,31)(H2,28,30)/t21-/m1/s1/i4D2.

What are the key properties of [3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?

[3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone has a molecular weight of 492.65 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone is sourced from PubChem (CID 170682891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).