2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)

C26H29F9N6O6S — CID 155831221

IUPAC2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
SMILESCN1CCN(Cc2nccs2)CC1c1cn2c(N3CCCC3)cccc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H26N6S.3C2HF3O2/c1-23-10-11-24(15-19-21-7-12-27-19)14-17(23)16-13-26-18(22-16)5-4-6-20(26)25-8-2-3-9-25;3*3-2(4,5)1(6)7/h4-7,12-13,17H,2-3,8-11,14-15H2,1H3;3*(H,6,7)
InChIKeyIFMYKPLYWISGQT-UHFFFAOYSA-N
MW724.60 g/mol
LogP4.78
Rot. Bonds4

About 2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)

2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155831221) has the molecular formula C26H29F9N6O6S and a molecular weight of 724.60 g/mol. Its IUPAC name is 2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
PubChem CID155831221
Molecular FormulaC26H29F9N6O6S
Molecular Weight724.60 g/mol
Exact Mass724.17
IUPAC Name2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
SMILESCN1CCN(Cc2nccs2)CC1c1cn2c(N3CCCC3)cccc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H26N6S.3C2HF3O2/c1-23-10-11-24(15-19-21-7-12-27-19)14-17(23)16-13-26-18(22-16)5-4-6-20(26)25-8-2-3-9-25;3*3-2(4,5)1(6)7/h4-7,12-13,17H,2-3,8-11,14-15H2,1H3;3*(H,6,7)
InChIKeyIFMYKPLYWISGQT-UHFFFAOYSA-N
XLogP4.78
TPSA151.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500724.60
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 171695631
2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155852445
2-[1,4-bis(cyclopropylmethyl)piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171694151
furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155865559
4-[2-[1-(cyclopropylmethyl)-4-(pyridin-2-ylmethyl)piperazin-2-yl]imidazo[1,2-a]pyridin-5-yl]morpholine;tetrakis(2,2,2-trifluoroacetic acid)
CID 155831488
2-[1-methyl-4-[(3-methylphenyl)methyl]piperazin-2-yl]-5-pyridin-4-ylimidazo[1,2-a]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155831070
2-[1-(cyclopropylmethyl)-4-[(1-ethylpyrazol-4-yl)methyl]piperazin-2-yl]-5-pyrrolidin-1-ylimidazo[1,2-a]pyridine
CID 131671379
2-[[4-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155831637
3-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]benzoic acid
CID 72844091
[8-methyl-2-(1,3-thiazol-2-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155832141
2-[[8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155845569
2-[[9-[(3-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155849197

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) (CID 155831221) is 2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) is CN1CCN(Cc2nccs2)CC1c1cn2c(N3CCCC3)cccc2n1.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 2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is IFMYKPLYWISGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6S.3C2HF3O2/c1-23-10-11-24(15-19-21-7-12-27-19)14-17(23)16-13-26-18(22-16)5-4-6-20(26)25-8-2-3-9-25;3*3-2(4,5)1(6)7/h4-7,12-13,17H,2-3,8-11,14-15H2,1H3;3*(H,6,7).
What are the key properties of 2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)?
2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 724.60 g/mol, XLogP of 4.78, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155831221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).