[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine

C36H38Cl4F2N6OS — CID 157067761

About [6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine

[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine (PubChem CID 157067761) has the molecular formula C36H38Cl4F2N6OS and a molecular weight of 782.62 g/mol. Its IUPAC name is [6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine.

Molecular Properties

• Compound Name: [6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine
• PubChem CID: 157067761
• Molecular Formula: C36H38Cl4F2N6OS
• Molecular Weight: 782.62 g/mol
• Exact Mass: 780.15
• IUPAC Name: [6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine
• SMILES: Cc1nc(C2(N)CC2)cnc1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)c(C(O)(F)F)nc1-c1cccc(Cl)c1Cl
• InChI: InChI=1S/C22H25Cl2F2N3O.C14H13Cl2N3S/c1-13-5-4-8-21(13)9-11-29(12-10-21)20-19(22(25,26)30)28-18(14(2)27-20)15-6-3-7-16(23)17(15)24;1-8-13(18-7-11(19-8)14(17)5-6-14)20-10-4-2-3-9(15)12(10)16/h3,6-7,13,30H,4-5,8-12H2,1-2H3;2-4,7H,5-6,17H2,1H3/t13-;/m1./s1
• InChIKey: ACBOSTNRHKDWAN-BTQNPOSSSA-N
• XLogP: 10.40
• TPSA: 101.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.62
LogP ≤ 5	10.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine?

The IUPAC name of [6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine (CID 157067761) is [6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine.

What is the SMILES notation for [6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine?

The canonical SMILES for [6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine is Cc1nc(C2(N)CC2)cnc1Sc1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CCC[C@H]3C)CC2)c(C(O)(F)F)nc1-c1cccc(Cl)c1Cl.

What is the InChIKey of [6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine?

The InChIKey is ACBOSTNRHKDWAN-BTQNPOSSSA-N. The full InChI is InChI=1S/C22H25Cl2F2N3O.C14H13Cl2N3S/c1-13-5-4-8-21(13)9-11-29(12-10-21)20-19(22(25,26)30)28-18(14(2)27-20)15-6-3-7-16(23)17(15)24;1-8-13(18-7-11(19-8)14(17)5-6-14)20-10-4-2-3-9(15)12(10)16/h3,6-7,13,30H,4-5,8-12H2,1-2H3;2-4,7H,5-6,17H2,1H3/t13-;/m1./s1.

What are the key properties of [6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine?

[6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine has a molecular weight of 782.62 g/mol, XLogP of 10.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2,3-dichlorophenyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]-difluoromethanol;1-[5-(2,3-dichlorophenyl)sulfanyl-6-methylpyrazin-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 157067761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).