2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol

C24H27F4N9OS — CID 165126729

About 2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol

2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol (PubChem CID 165126729) has the molecular formula C24H27F4N9OS and a molecular weight of 565.60 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol
• PubChem CID: 165126729
• Molecular Formula: C24H27F4N9OS
• Molecular Weight: 565.60 g/mol
• Exact Mass: 565.20
• IUPAC Name: 2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol
• SMILES: Cc1cnc2nc(C3CC3)c(C(=O)NCc3cnc(C4N=C5CN(F)CCN5N4C)c(F)c3)n2c1.FC(F)S
• InChI: InChI=1S/C23H25F2N9O.CH2F2S/c1-13-8-28-23-30-18(15-3-4-15)20(33(23)11-13)22(35)27-10-14-7-16(24)19(26-9-14)21-29-17-12-32(25)5-6-34(17)31(21)2;2-1(3)4/h7-9,11,15,21H,3-6,10,12H2,1-2H3,(H,27,35);1,4H
• InChIKey: HAMLFSNRHHOVKP-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 94.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.60
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol?

The IUPAC name of 2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol (CID 165126729) is 2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol.

What is the SMILES notation for 2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol?

The canonical SMILES for 2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol is Cc1cnc2nc(C3CC3)c(C(=O)NCc3cnc(C4N=C5CN(F)CCN5N4C)c(F)c3)n2c1.FC(F)S.

What is the InChIKey of 2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol?

The InChIKey is HAMLFSNRHHOVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N9O.CH2F2S/c1-13-8-28-23-30-18(15-3-4-15)20(33(23)11-13)22(35)27-10-14-7-16(24)19(26-9-14)21-29-17-12-32(25)5-6-34(17)31(21)2;2-1(3)4/h7-9,11,15,21H,3-6,10,12H2,1-2H3,(H,27,35);1,4H.

What are the key properties of 2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol?

2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol has a molecular weight of 565.60 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[[5-fluoro-6-(7-fluoro-3-methyl-2,5,6,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-3-pyridinyl]methyl]-6-methylimidazo[1,2-a]pyrimidine-3-carboxamide;difluoromethanethiol is sourced from PubChem (CID 165126729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).