N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid

C16H25F3N4O4S — CID 155840354

IUPACN-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid
SMILESCCN(CC)CC1CN(S(=O)(=O)C2CC2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C14H24N4O2S.C2HF3O2/c1-3-16(4-2)8-13-10-17(21(19,20)14-5-6-14)9-12-7-15-11-18(12)13;3-2(4,5)1(6)7/h7,11,13-14H,3-6,8-10H2,1-2H3;(H,6,7)
InChIKeyVAAMDCPNTQRMBF-UHFFFAOYSA-N
MW426.46 g/mol
LogP1.71
Rot. Bonds6

About N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid

N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid (PubChem CID 155840354) has the molecular formula C16H25F3N4O4S and a molecular weight of 426.46 g/mol. Its IUPAC name is N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid
PubChem CID155840354
Molecular FormulaC16H25F3N4O4S
Molecular Weight426.46 g/mol
Exact Mass426.15
IUPAC NameN-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid
SMILESCCN(CC)CC1CN(S(=O)(=O)C2CC2)Cc2cncn21.O=C(O)C(F)(F)F
InChIInChI=1S/C14H24N4O2S.C2HF3O2/c1-3-16(4-2)8-13-10-17(21(19,20)14-5-6-14)9-12-7-15-11-18(12)13;3-2(4,5)1(6)7/h7,11,13-14H,3-6,8-10H2,1-2H3;(H,6,7)
InChIKeyVAAMDCPNTQRMBF-UHFFFAOYSA-N
XLogP1.71
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;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

Frequently Asked Questions

What is the IUPAC name of N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid (CID 155840354) is N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid is CCN(CC)CC1CN(S(=O)(=O)C2CC2)Cc2cncn21.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is VAAMDCPNTQRMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S.C2HF3O2/c1-3-16(4-2)8-13-10-17(21(19,20)14-5-6-14)9-12-7-15-11-18(12)13;3-2(4,5)1(6)7/h7,11,13-14H,3-6,8-10H2,1-2H3;(H,6,7).
What are the key properties of N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid?
N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 426.46 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-cyclopropylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]-N-ethylethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155840354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).