1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid

C24H31F5N4O3 — CID 167855827

IUPAC1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
SMILESCC(C)(O)CN1CCC(NC2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H30F2N4O.C2HF3O2/c1-22(2,29)14-27-9-7-16(8-10-27)25-17-4-6-21-26-20(13-28(21)12-17)18-5-3-15(23)11-19(18)24;3-2(4,5)1(6)7/h3,5,11,13,16-17,25,29H,4,6-10,12,14H2,1-2H3;(H,6,7)
InChIKeyJELXXJBKCMUVAR-UHFFFAOYSA-N
MW518.53 g/mol
LogP3.60
Rot. Bonds5

About 1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid

1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid (PubChem CID 167855827) has the molecular formula C24H31F5N4O3 and a molecular weight of 518.53 g/mol. Its IUPAC name is 1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
PubChem CID167855827
Molecular FormulaC24H31F5N4O3
Molecular Weight518.53 g/mol
Exact Mass518.23
IUPAC Name1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
SMILESCC(C)(O)CN1CCC(NC2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H30F2N4O.C2HF3O2/c1-22(2,29)14-27-9-7-16(8-10-27)25-17-4-6-21-26-20(13-28(21)12-17)18-5-3-15(23)11-19(18)24;3-2(4,5)1(6)7/h3,5,11,13,16-17,25,29H,4,6-10,12,14H2,1-2H3;(H,6,7)
InChIKeyJELXXJBKCMUVAR-UHFFFAOYSA-N
XLogP3.60
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.53
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;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 1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid (CID 167855827) is 1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid is CC(C)(O)CN1CCC(NC2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid?
The InChIKey is JELXXJBKCMUVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2N4O.C2HF3O2/c1-22(2,29)14-27-9-7-16(8-10-27)25-17-4-6-21-26-20(13-28(21)12-17)18-5-3-15(23)11-19(18)24;3-2(4,5)1(6)7/h3,5,11,13,16-17,25,29H,4,6-10,12,14H2,1-2H3;(H,6,7).
What are the key properties of 1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid?
1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid has a molecular weight of 518.53 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]piperidin-1-yl]-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167855827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).