7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C19H20F3N7O — CID 164570789

About 7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 164570789) has the molecular formula C19H20F3N7O and a molecular weight of 419.41 g/mol. Its IUPAC name is 7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

• Compound Name: 7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
• PubChem CID: 164570789
• Molecular Formula: C19H20F3N7O
• Molecular Weight: 419.41 g/mol
• Exact Mass: 419.17
• IUPAC Name: 7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
• SMILES: CCc1c(C)nn2c(N)c(C#N)c(NCCc3cccc(C(O)C(F)(F)F)n3)nc12
• InChI: InChI=1S/C19H20F3N7O/c1-3-12-10(2)28-29-16(24)13(9-23)17(27-18(12)29)25-8-7-11-5-4-6-14(26-11)15(30)19(20,21)22/h4-6,15,30H,3,7-8,24H2,1-2H3,(H,25,27)
• InChIKey: XVBRMJYUVLAQHD-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 125.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.41
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?

The IUPAC name of 7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 164570789) is 7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

What is the SMILES notation for 7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?

The canonical SMILES for 7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile is CCc1c(C)nn2c(N)c(C#N)c(NCCc3cccc(C(O)C(F)(F)F)n3)nc12.

What is the InChIKey of 7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?

The InChIKey is XVBRMJYUVLAQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O/c1-3-12-10(2)28-29-16(24)13(9-23)17(27-18(12)29)25-8-7-11-5-4-6-14(26-11)15(30)19(20,21)22/h4-6,15,30H,3,7-8,24H2,1-2H3,(H,25,27).

What are the key properties of 7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?

7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 419.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164570789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).