2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid

C19H24F3N5O5S — CID 155869023

IUPAC2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)S(=O)(=O)N1Cc2ccnn2C(CC(=O)NCc2ccccn2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O3S.C2HF3O2/c1-13(2)26(24,25)21-11-15-6-8-20-22(15)16(12-21)9-17(23)19-10-14-5-3-4-7-18-14;3-2(4,5)1(6)7/h3-8,13,16H,9-12H2,1-2H3,(H,19,23);(H,6,7)
InChIKeyCPHXULVECSVPHS-UHFFFAOYSA-N
MW491.49 g/mol
LogP1.71
Rot. Bonds6

About 2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid

2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155869023) has the molecular formula C19H24F3N5O5S and a molecular weight of 491.49 g/mol. Its IUPAC name is 2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID155869023
Molecular FormulaC19H24F3N5O5S
Molecular Weight491.49 g/mol
Exact Mass491.15
IUPAC Name2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)S(=O)(=O)N1Cc2ccnn2C(CC(=O)NCc2ccccn2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H23N5O3S.C2HF3O2/c1-13(2)26(24,25)21-11-15-6-8-20-22(15)16(12-21)9-17(23)19-10-14-5-3-4-7-18-14;3-2(4,5)1(6)7/h3-8,13,16H,9-12H2,1-2H3,(H,19,23);(H,6,7)
InChIKeyCPHXULVECSVPHS-UHFFFAOYSA-N
XLogP1.71
TPSA134.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.49
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-methylpentanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155862816
2-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 131693706
N-methyl-2-[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 171694951
5-(3-methylbutanoyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155860095
2-(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155859328
5-(3-hydroxybenzoyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155863575
2-[5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(thiophen-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155862286
N-[2-[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 171695506
2-[5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-methylacetamide;2,2,2-trifluoroacetic acid
CID 155863599
N-methyl-2-[5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 171693397
2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155844147
2-[(3S,3aS,6aS)-5-methylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 97485904

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid (CID 155869023) is 2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid is CC(C)S(=O)(=O)N1Cc2ccnn2C(CC(=O)NCc2ccccn2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is CPHXULVECSVPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S.C2HF3O2/c1-13(2)26(24,25)21-11-15-6-8-20-22(15)16(12-21)9-17(23)19-10-14-5-3-4-7-18-14;3-2(4,5)1(6)7/h3-8,13,16H,9-12H2,1-2H3,(H,19,23);(H,6,7).
What are the key properties of 2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid?
2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 491.49 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(pyridin-2-ylmethyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155869023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).