N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

C16H19F3N6O4S — CID 155861872

IUPACN-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NCC1CN(c2ncccn2)Cc2ccnn21)C1CC1
InChIInChI=1S/C14H18N6O2S.C2HF3O2/c21-23(22,13-2-3-13)18-8-12-10-19(14-15-5-1-6-16-14)9-11-4-7-17-20(11)12;3-2(4,5)1(6)7/h1,4-7,12-13,18H,2-3,8-10H2;(H,6,7)
InChIKeyNIPFFEBOAJKROK-UHFFFAOYSA-N
MW448.43 g/mol
LogP0.95
Rot. Bonds5

About N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155861872) has the molecular formula C16H19F3N6O4S and a molecular weight of 448.43 g/mol. Its IUPAC name is N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155861872
Molecular FormulaC16H19F3N6O4S
Molecular Weight448.43 g/mol
Exact Mass448.11
IUPAC NameN-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=S(=O)(NCC1CN(c2ncccn2)Cc2ccnn21)C1CC1
InChIInChI=1S/C14H18N6O2S.C2HF3O2/c21-23(22,13-2-3-13)18-8-12-10-19(14-15-5-1-6-16-14)9-11-4-7-17-20(11)12;3-2(4,5)1(6)7/h1,4-7,12-13,18H,2-3,8-10H2;(H,6,7)
InChIKeyNIPFFEBOAJKROK-UHFFFAOYSA-N
XLogP0.95
TPSA130.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[2-[(7R)-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 124228466
N-[2-[(7S)-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 124228467
N-[2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide
CID 131640346
N-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 155825807
N-[[5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
CID 155860914
N-[2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155861183
5-(1-methylimidazol-4-yl)sulfonyl-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155861416
N-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155865193
N-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 155865595
N-[(5-cyclopropylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 155866590
N-[[(7S)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide
CID 124236697
N-[[(7R)-5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]cyclopropanesulfonamide
CID 124236698

Frequently Asked Questions

What is the IUPAC name of N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (CID 155861872) is N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=S(=O)(NCC1CN(c2ncccn2)Cc2ccnn21)C1CC1.
What is the InChIKey of N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is NIPFFEBOAJKROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S.C2HF3O2/c21-23(22,13-2-3-13)18-8-12-10-19(14-15-5-1-6-16-14)9-11-4-7-17-20(11)12;3-2(4,5)1(6)7/h1,4-7,12-13,18H,2-3,8-10H2;(H,6,7).
What are the key properties of N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 448.43 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155861872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).