3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol

C20H26ClN5O — CID 135231325

About 3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol

3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol (PubChem CID 135231325) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is 3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol.

Molecular Properties

• Compound Name: 3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
• PubChem CID: 135231325
• Molecular Formula: C20H26ClN5O
• Molecular Weight: 387.92 g/mol
• Exact Mass: 387.18
• IUPAC Name: 3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(Cl)cn1)C(O)N2
• InChI: InChI=1S/C20H26ClN5O/c1-25(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-26(18(27)24-19)17-13-22-16(21)12-23-17/h3-7,12-13,18,24,27H,8-11,14H2,1-2H3
• InChIKey: NTKYECBOHDOOAE-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 64.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.92
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?

The IUPAC name of 3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol (CID 135231325) is 3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol.

What is the SMILES notation for 3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?

The canonical SMILES for 3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(Cl)cn1)C(O)N2.

What is the InChIKey of 3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?

The InChIKey is NTKYECBOHDOOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-25(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-26(18(27)24-19)17-13-22-16(21)12-23-17/h3-7,12-13,18,24,27H,8-11,14H2,1-2H3.

What are the key properties of 3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?

3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol has a molecular weight of 387.92 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol is sourced from PubChem (CID 135231325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).