N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide

C32H40ClN7O3S — CID 145418437

About N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide

N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 145418437) has the molecular formula C32H40ClN7O3S and a molecular weight of 638.24 g/mol. Its IUPAC name is N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
• PubChem CID: 145418437
• Molecular Formula: C32H40ClN7O3S
• Molecular Weight: 638.24 g/mol
• Exact Mass: 637.26
• IUPAC Name: N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
• SMILES: CN1CC(N2CCC3(CCCC4(CC4)C3)CC2)=NC(N)=C1Sc1cccc(NC(=O)c2c(O)nc3n(c2=O)CCCC3)c1Cl
• InChI: InChI=1S/C32H40ClN7O3S/c1-38-18-23(39-16-13-32(14-17-39)10-5-9-31(19-32)11-12-31)36-26(34)30(38)44-21-7-4-6-20(25(21)33)35-27(41)24-28(42)37-22-8-2-3-15-40(22)29(24)43/h4,6-7,42H,2-3,5,8-19,34H2,1H3,(H,35,41)
• InChIKey: MNXNEQGORCRVON-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 129.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.24
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide (CID 145418437) is N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide is CN1CC(N2CCC3(CCCC4(CC4)C3)CC2)=NC(N)=C1Sc1cccc(NC(=O)c2c(O)nc3n(c2=O)CCCC3)c1Cl.

What is the InChIKey of N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide?

The InChIKey is MNXNEQGORCRVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40ClN7O3S/c1-38-18-23(39-16-13-32(14-17-39)10-5-9-31(19-32)11-12-31)36-26(34)30(38)44-21-7-4-6-20(25(21)33)35-27(41)24-28(42)37-22-8-2-3-15-40(22)29(24)43/h4,6-7,42H,2-3,5,8-19,34H2,1H3,(H,35,41).

What are the key properties of N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide?

N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 638.24 g/mol, XLogP of 5.15, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-amino-3-(8-azadispiro[2.1.55.33]tridecan-8-yl)-1-methyl-2H-pyrazin-6-yl]sulfanyl]-2-chlorophenyl]-2-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145418437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).