(3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one

C26H27F3N4O2 — CID 142594662

IUPAC(3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one
SMILESC[C@@H](O)CC(=O)N1CCC(c2ccc3[nH]c(-c4cc(F)c5nccn5c4)c(CC(F)F)c3c2)CC1
InChIInChI=1S/C26H27F3N4O2/c1-15(34)10-24(35)32-7-4-16(5-8-32)17-2-3-22-19(11-17)20(13-23(28)29)25(31-22)18-12-21(27)26-30-6-9-33(26)14-18/h2-3,6,9,11-12,14-16,23,31,34H,4-5,7-8,10,13H2,1H3/t15-/m1/s1
InChIKeyTVQMHDCKUREEDD-OAHLLOKOSA-N
MW484.52 g/mol
LogP4.91
Rot. Bonds6

About (3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one

(3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one (PubChem CID 142594662) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is (3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one.

Molecular Properties

Compound Name(3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one
PubChem CID142594662
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Name(3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one
SMILESC[C@@H](O)CC(=O)N1CCC(c2ccc3[nH]c(-c4cc(F)c5nccn5c4)c(CC(F)F)c3c2)CC1
InChIInChI=1S/C26H27F3N4O2/c1-15(34)10-24(35)32-7-4-16(5-8-32)17-2-3-22-19(11-17)20(13-23(28)29)25(31-22)18-12-21(27)26-30-6-9-33(26)14-18/h2-3,6,9,11-12,14-16,23,31,34H,4-5,7-8,10,13H2,1H3/t15-/m1/s1
InChIKeyTVQMHDCKUREEDD-OAHLLOKOSA-N
XLogP4.91
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one with MolForge

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Related Compounds

1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 142594549
2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 161426605
3-hydroxy-1-[4-(3-propan-2-yl-2-pyrazolo[1,5-a]pyrimidin-6-yl-1H-indol-5-yl)piperidin-1-yl]butan-1-one
CID 155123901
1-[4-[3-(2,2-difluoroethyl)-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]butan-1-one
CID 148632611
3-hydroxy-1-[4-[2-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-1-one
CID 155123900
tert-butyl 4-[3-(2,2-difluoroethyl)-2-(3,4-dimethoxyphenyl)-1H-indol-5-yl]piperidine-1-carboxylate
CID 134230568
N,N-dimethyl-2-[4-[3-propan-2-yl-2-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594755
1-[4-[2-(2,7-dimethylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one
CID 142594298
2-(2-chloro-4-pyridinyl)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-1H-indole
CID 134329795
1-[4-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]piperidin-1-yl]-2-pyrazin-2-ylethanone
CID 134230916
2-(2-hydroxypropylamino)-1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 155802604
5,5,5-trifluoro-1-[4-(2-imidazo[1,2-a]pyridin-6-yl-3-propan-2-yl-1H-indol-5-yl)piperidin-1-yl]pentan-2-one
CID 157140603

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one?
The IUPAC name of (3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one (CID 142594662) is (3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one.
What is the SMILES notation for (3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one?
The canonical SMILES for (3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one is C[C@@H](O)CC(=O)N1CCC(c2ccc3[nH]c(-c4cc(F)c5nccn5c4)c(CC(F)F)c3c2)CC1.
What is the InChIKey of (3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one?
The InChIKey is TVQMHDCKUREEDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-15(34)10-24(35)32-7-4-16(5-8-32)17-2-3-22-19(11-17)20(13-23(28)29)25(31-22)18-12-21(27)26-30-6-9-33(26)14-18/h2-3,6,9,11-12,14-16,23,31,34H,4-5,7-8,10,13H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one?
(3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one has a molecular weight of 484.52 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[3-(2,2-difluoroethyl)-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-3-hydroxybutan-1-one is sourced from PubChem (CID 142594662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).