N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid)

C18H21F6N5O6S — CID 118746632

IUPACN-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid)
SMILESCS(=O)(=O)NCc1cn2c(n1)CN(Cc1cccnc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N5O2S.2C2HF3O2/c1-22(20,21)16-8-13-10-19-6-5-18(11-14(19)17-13)9-12-3-2-4-15-7-12;2*3-2(4,5)1(6)7/h2-4,7,10,16H,5-6,8-9,11H2,1H3;2*(H,6,7)
InChIKeyFSOIJQBOAKXQRD-UHFFFAOYSA-N
MW549.45 g/mol
LogP1.61
Rot. Bonds5

About N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid)

N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746632) has the molecular formula C18H21F6N5O6S and a molecular weight of 549.45 g/mol. Its IUPAC name is N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746632
Molecular FormulaC18H21F6N5O6S
Molecular Weight549.45 g/mol
Exact Mass549.11
IUPAC NameN-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid)
SMILESCS(=O)(=O)NCc1cn2c(n1)CN(Cc1cccnc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N5O2S.2C2HF3O2/c1-22(20,21)16-8-13-10-19-6-5-18(11-14(19)17-13)9-12-3-2-4-15-7-12;2*3-2(4,5)1(6)7/h2-4,7,10,16H,5-6,8-9,11H2,1H3;2*(H,6,7)
InChIKeyFSOIJQBOAKXQRD-UHFFFAOYSA-N
XLogP1.61
TPSA154.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.45
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(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-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid) (CID 118746632) is N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid) is CS(=O)(=O)NCc1cn2c(n1)CN(Cc1cccnc1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is FSOIJQBOAKXQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S.2C2HF3O2/c1-22(20,21)16-8-13-10-19-6-5-18(11-14(19)17-13)9-12-3-2-4-15-7-12;2*3-2(4,5)1(6)7/h2-4,7,10,16H,5-6,8-9,11H2,1H3;2*(H,6,7).
What are the key properties of N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid)?
N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 549.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).