6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol

C21H24ClN7OS — CID 167301574

About 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol

6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol (PubChem CID 167301574) has the molecular formula C21H24ClN7OS and a molecular weight of 457.99 g/mol. Its IUPAC name is 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol.

Molecular Properties

• Compound Name: 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol
• PubChem CID: 167301574
• Molecular Formula: C21H24ClN7OS
• Molecular Weight: 457.99 g/mol
• Exact Mass: 457.15
• IUPAC Name: 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol
• SMILES: Nc1nccc(SC2=CN=C(N3CCC4(CC3)Cc3ncccc3[C@H]4N)C(O)N2)c1Cl
• InChI: InChI=1S/C21H24ClN7OS/c22-16-14(3-7-26-18(16)24)31-15-11-27-19(20(30)28-15)29-8-4-21(5-9-29)10-13-12(17(21)23)2-1-6-25-13/h1-3,6-7,11,17,20,28,30H,4-5,8-10,23H2,(H2,24,26)/t17-,20?/m1/s1
• InChIKey: NRFLODXZNICPRG-DIAVIDTQSA-N
• XLogP: 2.26
• TPSA: 125.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.99
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol?

The IUPAC name of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol (CID 167301574) is 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol.

What is the SMILES notation for 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol?

The canonical SMILES for 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol is Nc1nccc(SC2=CN=C(N3CCC4(CC3)Cc3ncccc3[C@H]4N)C(O)N2)c1Cl.

What is the InChIKey of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol?

The InChIKey is NRFLODXZNICPRG-DIAVIDTQSA-N. The full InChI is InChI=1S/C21H24ClN7OS/c22-16-14(3-7-26-18(16)24)31-15-11-27-19(20(30)28-15)29-8-4-21(5-9-29)10-13-12(17(21)23)2-1-6-25-13/h1-3,6-7,11,17,20,28,30H,4-5,8-10,23H2,(H2,24,26)/t17-,20?/m1/s1.

What are the key properties of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol?

6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol has a molecular weight of 457.99 g/mol, XLogP of 2.26, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1,2-dihydropyrazin-2-ol is sourced from PubChem (CID 167301574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).