1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid

C28H26F5N3O3 — CID 166402894

IUPAC1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC(CNC1CCc2nc(-c3ccc(F)cc3F)cn2C1)Cc1ccc2ccccc2c1
InChIInChI=1S/C26H25F2N3O.C2HF3O2/c27-20-7-9-23(24(28)13-20)25-16-31-15-21(8-10-26(31)30-25)29-14-22(32)12-17-5-6-18-3-1-2-4-19(18)11-17;3-2(4,5)1(6)7/h1-7,9,11,13,16,21-22,29,32H,8,10,12,14-15H2;(H,6,7)
InChIKeyVJGGYTCXTBMAMA-UHFFFAOYSA-N
MW547.52 g/mol
LogP5.12
Rot. Bonds6

About 1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid

1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid (PubChem CID 166402894) has the molecular formula C28H26F5N3O3 and a molecular weight of 547.52 g/mol. Its IUPAC name is 1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid
PubChem CID166402894
Molecular FormulaC28H26F5N3O3
Molecular Weight547.52 g/mol
Exact Mass547.19
IUPAC Name1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC(CNC1CCc2nc(-c3ccc(F)cc3F)cn2C1)Cc1ccc2ccccc2c1
InChIInChI=1S/C26H25F2N3O.C2HF3O2/c27-20-7-9-23(24(28)13-20)25-16-31-15-21(8-10-26(31)30-25)29-14-22(32)12-17-5-6-18-3-1-2-4-19(18)11-17;3-2(4,5)1(6)7/h1-7,9,11,13,16,21-22,29,32H,8,10,12,14-15H2;(H,6,7)
InChIKeyVJGGYTCXTBMAMA-UHFFFAOYSA-N
XLogP5.12
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.52
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid (CID 166402894) is 1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC(CNC1CCc2nc(-c3ccc(F)cc3F)cn2C1)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid?
The InChIKey is VJGGYTCXTBMAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O.C2HF3O2/c27-20-7-9-23(24(28)13-20)25-16-31-15-21(8-10-26(31)30-25)29-14-22(32)12-17-5-6-18-3-1-2-4-19(18)11-17;3-2(4,5)1(6)7/h1-7,9,11,13,16,21-22,29,32H,8,10,12,14-15H2;(H,6,7).
What are the key properties of 1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid?
1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid has a molecular weight of 547.52 g/mol, XLogP of 5.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-3-naphthalen-2-ylpropan-2-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166402894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).