2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

C24H20ClFN6O2S — CID 118085696

About 2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide

2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (PubChem CID 118085696) has the molecular formula C24H20ClFN6O2S and a molecular weight of 510.98 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
• PubChem CID: 118085696
• Molecular Formula: C24H20ClFN6O2S
• Molecular Weight: 510.98 g/mol
• Exact Mass: 510.10
• IUPAC Name: 2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
• SMILES: Cc1nc(-c2ccc(NC(=O)N3CCn4nc(-c5ccc(F)c(Cl)c5)c(C(N)=O)c4C3)cc2)cs1
• InChI: InChI=1S/C24H20ClFN6O2S/c1-13-28-19(12-35-13)14-2-5-16(6-3-14)29-24(34)31-8-9-32-20(11-31)21(23(27)33)22(30-32)15-4-7-18(26)17(25)10-15/h2-7,10,12H,8-9,11H2,1H3,(H2,27,33)(H,29,34)
• InChIKey: PYMKAMQLQZVSBQ-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 106.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.98
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide (CID 118085696) is 2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is Cc1nc(-c2ccc(NC(=O)N3CCn4nc(-c5ccc(F)c(Cl)c5)c(C(N)=O)c4C3)cc2)cs1.

What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

The InChIKey is PYMKAMQLQZVSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O2S/c1-13-28-19(12-35-13)14-2-5-16(6-3-14)29-24(34)31-8-9-32-20(11-31)21(23(27)33)22(30-32)15-4-7-18(26)17(25)10-15/h2-7,10,12H,8-9,11H2,1H3,(H2,27,33)(H,29,34).

What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide?

2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide has a molecular weight of 510.98 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-fluorophenyl)-5-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide is sourced from PubChem (CID 118085696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).