9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid

C24H28F5N5O3 — CID 167852329

IUPAC9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1NCCNC12CCC(NC1CCc3nc(-c4ccc(F)cc4F)cn3C1)CC2
InChIInChI=1S/C22H27F2N5O.C2HF3O2/c23-14-1-3-17(18(24)11-14)19-13-29-12-16(2-4-20(29)28-19)27-15-5-7-22(8-6-15)21(30)25-9-10-26-22;3-2(4,5)1(6)7/h1,3,11,13,15-16,26-27H,2,4-10,12H2,(H,25,30);(H,6,7)
InChIKeyWPNGOESQWCNLQV-UHFFFAOYSA-N
MW529.51 g/mol
LogP2.77
Rot. Bonds3

About 9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid

9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid (PubChem CID 167852329) has the molecular formula C24H28F5N5O3 and a molecular weight of 529.51 g/mol. Its IUPAC name is 9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
PubChem CID167852329
Molecular FormulaC24H28F5N5O3
Molecular Weight529.51 g/mol
Exact Mass529.21
IUPAC Name9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1NCCNC12CCC(NC1CCc3nc(-c4ccc(F)cc4F)cn3C1)CC2
InChIInChI=1S/C22H27F2N5O.C2HF3O2/c23-14-1-3-17(18(24)11-14)19-13-29-12-16(2-4-20(29)28-19)27-15-5-7-22(8-6-15)21(30)25-9-10-26-22;3-2(4,5)1(6)7/h1,3,11,13,15-16,26-27H,2,4-10,12H2,(H,25,30);(H,6,7)
InChIKeyWPNGOESQWCNLQV-UHFFFAOYSA-N
XLogP2.77
TPSA108.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.51
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid (CID 167852329) is 9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1NCCNC12CCC(NC1CCc3nc(-c4ccc(F)cc4F)cn3C1)CC2.
What is the InChIKey of 9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid?
The InChIKey is WPNGOESQWCNLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N5O.C2HF3O2/c23-14-1-3-17(18(24)11-14)19-13-29-12-16(2-4-20(29)28-19)27-15-5-7-22(8-6-15)21(30)25-9-10-26-22;3-2(4,5)1(6)7/h1,3,11,13,15-16,26-27H,2,4-10,12H2,(H,25,30);(H,6,7).
What are the key properties of 9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid?
9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid has a molecular weight of 529.51 g/mol, XLogP of 2.77, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]amino]-1,4-diazaspiro[5.5]undecan-5-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167852329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).