(4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine

C22H23ClN8S — CID 171471226

About (4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine

(4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine (PubChem CID 171471226) has the molecular formula C22H23ClN8S and a molecular weight of 467.00 g/mol. Its IUPAC name is (4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine.

Molecular Properties

• Compound Name: (4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
• PubChem CID: 171471226
• Molecular Formula: C22H23ClN8S
• Molecular Weight: 467.00 g/mol
• Exact Mass: 466.15
• IUPAC Name: (4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine
• SMILES: Cn1cc2c(Cl)c(Sc3cnc(N4CCC5(CC4)Cn4nccc4[C@H]5N)cn3)ccc2n1
• InChI: InChI=1S/C22H23ClN8S/c1-29-12-14-15(28-29)2-3-17(20(14)23)32-19-11-25-18(10-26-19)30-8-5-22(6-9-30)13-31-16(21(22)24)4-7-27-31/h2-4,7,10-12,21H,5-6,8-9,13,24H2,1H3/t21-/m1/s1
• InChIKey: NMLAPINHVKYLLP-OAQYLSRUSA-N
• XLogP: 3.66
• TPSA: 90.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.00
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine?

The IUPAC name of (4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine (CID 171471226) is (4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine.

What is the SMILES notation for (4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine?

The canonical SMILES for (4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine is Cn1cc2c(Cl)c(Sc3cnc(N4CCC5(CC4)Cn4nccc4[C@H]5N)cn3)ccc2n1.

What is the InChIKey of (4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine?

The InChIKey is NMLAPINHVKYLLP-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H23ClN8S/c1-29-12-14-15(28-29)2-3-17(20(14)23)32-19-11-25-18(10-26-19)30-8-5-22(6-9-30)13-31-16(21(22)24)4-7-27-31/h2-4,7,10-12,21H,5-6,8-9,13,24H2,1H3/t21-/m1/s1.

What are the key properties of (4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine?

(4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine has a molecular weight of 467.00 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-1'-[5-(4-chloro-2-methylindazol-5-yl)sulfanylpyrazin-2-yl]spiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-4-amine is sourced from PubChem (CID 171471226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).