1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one

C23H25F2N5O3S — CID 167544560

IUPAC1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one
SMILESCC(F)(F)c1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4nccn24)C3)nc1
InChIInChI=1S/C23H25F2N5O3S/c1-23(24,25)16-5-8-20(27-13-16)30-17-6-7-18(30)15-28(14-17)21(31)9-12-34(32,33)22-4-2-3-19-26-10-11-29(19)22/h2-5,8,10-11,13,17-18H,6-7,9,12,14-15H2,1H3
InChIKeyPQUCTGFHUXOOMZ-UHFFFAOYSA-N
MW489.55 g/mol
LogP2.88
Rot. Bonds6

About 1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one

1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one (PubChem CID 167544560) has the molecular formula C23H25F2N5O3S and a molecular weight of 489.55 g/mol. Its IUPAC name is 1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one
PubChem CID167544560
Molecular FormulaC23H25F2N5O3S
Molecular Weight489.55 g/mol
Exact Mass489.16
IUPAC Name1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one
SMILESCC(F)(F)c1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4nccn24)C3)nc1
InChIInChI=1S/C23H25F2N5O3S/c1-23(24,25)16-5-8-20(27-13-16)30-17-6-7-18(30)15-28(14-17)21(31)9-12-34(32,33)22-4-2-3-19-26-10-11-29(19)22/h2-5,8,10-11,13,17-18H,6-7,9,12,14-15H2,1H3
InChIKeyPQUCTGFHUXOOMZ-UHFFFAOYSA-N
XLogP2.88
TPSA87.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzylsulfonylimidazo[1,5-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 54579585
US9670204, 51 1-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)propan-1-one
CID 78425994
US9670204, 65 1-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)-4-(methylsulfonyl)piperazin-2-one
CID 78426135
2,2,2-trifluoro-N-[6-[(E)-2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 16662906
[4-Fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]-[4-(2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 21050386
2-Imidazo[1,2-a]pyridin-2-yl-1-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]ethanone
CID 70860775
2,2,2-trifluoro-N-[6-[2-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]ethenyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 73301762
2-[2-Ethylsulfonyl-6-(trifluoromethyl)-3-pyridyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 117814371
N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-yl]acetamide
CID 126574544
2-(7-Cyclopropyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129028309
2-(7-Ethenyl-3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129028381
N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide
CID 129028388

Frequently Asked Questions

What is the IUPAC name of 1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one?
The IUPAC name of 1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one (CID 167544560) is 1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one.
What is the SMILES notation for 1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one?
The canonical SMILES for 1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one is CC(F)(F)c1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4nccn24)C3)nc1.
What is the InChIKey of 1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one?
The InChIKey is PQUCTGFHUXOOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O3S/c1-23(24,25)16-5-8-20(27-13-16)30-17-6-7-18(30)15-28(14-17)21(31)9-12-34(32,33)22-4-2-3-19-26-10-11-29(19)22/h2-5,8,10-11,13,17-18H,6-7,9,12,14-15H2,1H3.
What are the key properties of 1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one?
1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one has a molecular weight of 489.55 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[5-(1,1-difluoroethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-imidazo[1,2-a]pyridin-5-ylsulfonylpropan-1-one is sourced from PubChem (CID 167544560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).