(4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine

C24H27N9S — CID 171768833

About (4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine

(4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine (PubChem CID 171768833) has the molecular formula C24H27N9S and a molecular weight of 473.61 g/mol. Its IUPAC name is (4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine.

Molecular Properties

• Compound Name: (4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
• PubChem CID: 171768833
• Molecular Formula: C24H27N9S
• Molecular Weight: 473.61 g/mol
• Exact Mass: 473.21
• IUPAC Name: (4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
• SMILES: Cc1cnn(-c2nccc(Sc3cnc(N4CCC5(CC4)Cn4nccc4[C@H]5N)cn3)c2C)c1
• InChI: InChI=1S/C24H27N9S/c1-16-11-30-32(14-16)23-17(2)19(4-7-26-23)34-21-13-27-20(12-28-21)31-9-5-24(6-10-31)15-33-18(22(24)25)3-8-29-33/h3-4,7-8,11-14,22H,5-6,9-10,15,25H2,1-2H3/t22-/m1/s1
• InChIKey: MRPBOZJWBWWKNK-JOCHJYFZSA-N
• XLogP: 3.32
• TPSA: 103.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.61
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine?

The IUPAC name of (4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine (CID 171768833) is (4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine.

What is the SMILES notation for (4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine?

The canonical SMILES for (4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine is Cc1cnn(-c2nccc(Sc3cnc(N4CCC5(CC4)Cn4nccc4[C@H]5N)cn3)c2C)c1.

What is the InChIKey of (4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine?

The InChIKey is MRPBOZJWBWWKNK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27N9S/c1-16-11-30-32(14-16)23-17(2)19(4-7-26-23)34-21-13-27-20(12-28-21)31-9-5-24(6-10-31)15-33-18(22(24)25)3-8-29-33/h3-4,7-8,11-14,22H,5-6,9-10,15,25H2,1-2H3/t22-/m1/s1.

What are the key properties of (4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine?

(4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine has a molecular weight of 473.61 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-1'-[5-[[3-methyl-2-(4-methylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine is sourced from PubChem (CID 171768833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).