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

C24H25F9N6O6S — CID 155829640

IUPACN-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid)
SMILESCN(Cc1cccnc1)Cc1cn2c(n1)CN(Cc1nccs1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N6S.3C2HF3O2/c1-22(10-15-3-2-4-19-9-15)11-16-12-24-7-6-23(13-17(24)21-16)14-18-20-5-8-25-18;3*3-2(4,5)1(6)7/h2-5,8-9,12H,6-7,10-11,13-14H2,1H3;3*(H,6,7)
InChIKeyWLVQSECDTBZJJY-UHFFFAOYSA-N
MW696.55 g/mol
LogP4.28
Rot. Bonds6

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

N-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155829640) has the molecular formula C24H25F9N6O6S and a molecular weight of 696.55 g/mol. Its IUPAC name is N-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid)
PubChem CID155829640
Molecular FormulaC24H25F9N6O6S
Molecular Weight696.55 g/mol
Exact Mass696.14
IUPAC NameN-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid)
SMILESCN(Cc1cccnc1)Cc1cn2c(n1)CN(Cc1nccs1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H22N6S.3C2HF3O2/c1-22(10-15-3-2-4-19-9-15)11-16-12-24-7-6-23(13-17(24)21-16)14-18-20-5-8-25-18;3*3-2(4,5)1(6)7/h2-5,8-9,12H,6-7,10-11,13-14H2,1H3;3*(H,6,7)
InChIKeyWLVQSECDTBZJJY-UHFFFAOYSA-N
XLogP4.28
TPSA161.98 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500696.55
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

US9670204, 42 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)aceticacid
CID 90421072
2,2-Dimethyl-6-oxo-6-[8-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]hexanoic acid
CID 68357652
US9670204, 60 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-ylsulfonyl)aceticacid
CID 78425997
2-[3-Methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 2745078
US20240300936, Example 135
CID 166163919
4-methyl-5-({3-[5-methyl-2-(3-pyridyl)-1H-imidazol-1-yl]piperidino}methyl)-1,3-thiazole
CID 124046263
N-methyl-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 75439479
2-Methyl-4-[(4-pyridin-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 118746014
N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118746033
2-Methyl-4-[(4-pyridin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 118746671
7-(pyridin-3-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118746707
N,N-dimethyl-2-[4-(1,3-thiazol-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]ethanamine;tris(2,2,2-trifluoroacetic acid)
CID 118747052

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid) (CID 155829640) is N-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid) is CN(Cc1cccnc1)Cc1cn2c(n1)CN(Cc1nccs1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is WLVQSECDTBZJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S.3C2HF3O2/c1-22(10-15-3-2-4-19-9-15)11-16-12-24-7-6-23(13-17(24)21-16)14-18-20-5-8-25-18;3*3-2(4,5)1(6)7/h2-5,8-9,12H,6-7,10-11,13-14H2,1H3;3*(H,6,7).
What are the key properties of N-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid)?
N-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 696.55 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyridin-3-yl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155829640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).