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

C28H31F3N4O — CID 157140603

IUPAC5,5,5-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
SMILESCC(C)c1c(-c2ccc3nccn3c2)[nH]c2ccc(C3CCN(CC(=O)CCC(F)(F)F)CC3)cc12
InChIInChI=1S/C28H31F3N4O/c1-18(2)26-23-15-20(19-8-12-34(13-9-19)17-22(36)7-10-28(29,30)31)3-5-24(23)33-27(26)21-4-6-25-32-11-14-35(25)16-21/h3-6,11,14-16,18-19,33H,7-10,12-13,17H2,1-2H3
InChIKeyAKDJANCOQXJEEQ-UHFFFAOYSA-N
MW496.58 g/mol
LogP6.70
Rot. Bonds7

About 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

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 (PubChem CID 157140603) has the molecular formula C28H31F3N4O and a molecular weight of 496.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,5,5-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
PubChem CID157140603
Molecular FormulaC28H31F3N4O
Molecular Weight496.58 g/mol
Exact Mass496.24
IUPAC Name5,5,5-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
SMILESCC(C)c1c(-c2ccc3nccn3c2)[nH]c2ccc(C3CCN(CC(=O)CCC(F)(F)F)CC3)cc12
InChIInChI=1S/C28H31F3N4O/c1-18(2)26-23-15-20(19-8-12-34(13-9-19)17-22(36)7-10-28(29,30)31)3-5-24(23)33-27(26)21-4-6-25-32-11-14-35(25)16-21/h3-6,11,14-16,18-19,33H,7-10,12-13,17H2,1-2H3
InChIKeyAKDJANCOQXJEEQ-UHFFFAOYSA-N
XLogP6.70
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.58
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
6-[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]imidazo[1,2-a]pyridine
CID 142594046
N,N-dimethyl-2-[4-[2-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594007
2-[4-[2-(5-methoxyimidazo[1,2-a]pyridin-7-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 142594436
N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594665
2-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142593912
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 134329464
1-[4-[2-(2-cyclopropyl-5-fluoro-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]butan-2-one
CID 159857564
2-[4-[2-(2-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 134329798
5-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridine
CID 142594108
1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 134329412
2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(3-hydroxybutyl)acetamide
CID 134329458

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1c(-c2ccc3nccn3c2)[nH]c2ccc(C3CCN(CC(=O)CCC(F)(F)F)CC3)cc12.
What is the InChIKey of 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?
The InChIKey is AKDJANCOQXJEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N4O/c1-18(2)26-23-15-20(19-8-12-34(13-9-19)17-22(36)7-10-28(29,30)31)3-5-24(23)33-27(26)21-4-6-25-32-11-14-35(25)16-21/h3-6,11,14-16,18-19,33H,7-10,12-13,17H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 496.58 g/mol, XLogP of 6.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157140603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).