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

C27H29F3N4O2 — CID 142594549

IUPAC1-[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
SMILESCC(C)(O)CC(=O)N1CCC(c2ccc3[nH]c(-c4cc(F)c5nccn5c4)c(CC(F)F)c3c2)CC1
InChIInChI=1S/C27H29F3N4O2/c1-27(2,36)14-24(35)33-8-5-16(6-9-33)17-3-4-22-19(11-17)20(13-23(29)30)25(32-22)18-12-21(28)26-31-7-10-34(26)15-18/h3-4,7,10-12,15-16,23,32,36H,5-6,8-9,13-14H2,1-2H3
InChIKeyNFUQSNYYTXTTCX-UHFFFAOYSA-N
MW498.55 g/mol
LogP5.30
Rot. Bonds6

About 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

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 (PubChem CID 142594549) has the molecular formula C27H29F3N4O2 and a molecular weight of 498.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID142594549
Molecular FormulaC27H29F3N4O2
Molecular Weight498.55 g/mol
Exact Mass498.22
IUPAC Name1-[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
SMILESCC(C)(O)CC(=O)N1CCC(c2ccc3[nH]c(-c4cc(F)c5nccn5c4)c(CC(F)F)c3c2)CC1
InChIInChI=1S/C27H29F3N4O2/c1-27(2,36)14-24(35)33-8-5-16(6-9-33)17-3-4-22-19(11-17)20(13-23(29)30)25(32-22)18-12-21(28)26-31-7-10-34(26)15-18/h3-4,7,10-12,15-16,23,32,36H,5-6,8-9,13-14H2,1-2H3
InChIKeyNFUQSNYYTXTTCX-UHFFFAOYSA-N
XLogP5.30
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.55
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

(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
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
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
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-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)amino]ethanone
CID 134330047
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
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
1-[4-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]piperidin-1-yl]-2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethanone
CID 134230178
2-(dimethylamino)-1-[4-[2-(7-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 142594466
1-[4-[2-(3,4-dimethoxyphenyl)-3-(2,2,2-trifluoroethyl)-1H-indol-5-yl]piperidin-1-yl]-2-methylsulfonylethanone
CID 134230544

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(O)CC(=O)N1CCC(c2ccc3[nH]c(-c4cc(F)c5nccn5c4)c(CC(F)F)c3c2)CC1.
What is the InChIKey of 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?
The InChIKey is NFUQSNYYTXTTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O2/c1-27(2,36)14-24(35)33-8-5-16(6-9-33)17-3-4-22-19(11-17)20(13-23(29)30)25(32-22)18-12-21(28)26-31-7-10-34(26)15-18/h3-4,7,10-12,15-16,23,32,36H,5-6,8-9,13-14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 498.55 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142594549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).