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

C24H26ClN9S — CID 174187877

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

1'-[5-[[3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine (PubChem CID 174187877) has the molecular formula C24H26ClN9S and a molecular weight of 508.06 g/mol. Its IUPAC name is 1'-[5-[[3-chloro-2-(3,5-dimethylpyrazol-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: 1'-[5-[[3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
• PubChem CID: 174187877
• Molecular Formula: C24H26ClN9S
• Molecular Weight: 508.06 g/mol
• Exact Mass: 507.17
• IUPAC Name: 1'-[5-[[3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
• SMILES: Cc1cc(C)n(-c2nccc(Sc3cnc(N4CCC5(CC4)Cn4nccc4C5N)cn3)c2Cl)n1
• InChI: InChI=1S/C24H26ClN9S/c1-15-11-16(2)34(31-15)23-21(25)18(4-7-27-23)35-20-13-28-19(12-29-20)32-9-5-24(6-10-32)14-33-17(22(24)26)3-8-30-33/h3-4,7-8,11-13,22H,5-6,9-10,14,26H2,1-2H3
• InChIKey: PEPKTFJSYCVQSN-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 103.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.06
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1'-[5-[[3-chloro-2-(3,5-dimethylpyrazol-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 1'-[5-[[3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine (CID 174187877) is 1'-[5-[[3-chloro-2-(3,5-dimethylpyrazol-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 1'-[5-[[3-chloro-2-(3,5-dimethylpyrazol-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 1'-[5-[[3-chloro-2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine is Cc1cc(C)n(-c2nccc(Sc3cnc(N4CCC5(CC4)Cn4nccc4C5N)cn3)c2Cl)n1.

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

The InChIKey is PEPKTFJSYCVQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN9S/c1-15-11-16(2)34(31-15)23-21(25)18(4-7-27-23)35-20-13-28-19(12-29-20)32-9-5-24(6-10-32)14-33-17(22(24)26)3-8-30-33/h3-4,7-8,11-13,22H,5-6,9-10,14,26H2,1-2H3.

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

1'-[5-[[3-chloro-2-(3,5-dimethylpyrazol-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 508.06 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[5-[[3-chloro-2-(3,5-dimethylpyrazol-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 174187877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).