2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide

C26H30FN5O — CID 161426605

IUPAC2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCCc1c(-c2cc(F)c3nccn3c2)[nH]c2ccc(C3CCN(CC(=O)N(C)C)CC3)cc12
InChIInChI=1S/C26H30FN5O/c1-4-20-21-13-18(17-7-10-31(11-8-17)16-24(33)30(2)3)5-6-23(21)29-25(20)19-14-22(27)26-28-9-12-32(26)15-19/h5-6,9,12-15,17,29H,4,7-8,10-11,16H2,1-3H3
InChIKeyVXLBJKATYZXICA-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.45
Rot. Bonds5

About 2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 161426605) has the molecular formula C26H30FN5O and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID161426605
Molecular FormulaC26H30FN5O
Molecular Weight447.56 g/mol
Exact Mass447.24
IUPAC Name2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCCc1c(-c2cc(F)c3nccn3c2)[nH]c2ccc(C3CCN(CC(=O)N(C)C)CC3)cc12
InChIInChI=1S/C26H30FN5O/c1-4-20-21-13-18(17-7-10-31(11-8-17)16-24(33)30(2)3)5-6-23(21)29-25(20)19-14-22(27)26-28-9-12-32(26)15-19/h5-6,9,12-15,17,29H,4,7-8,10-11,16H2,1-3H3
InChIKeyVXLBJKATYZXICA-UHFFFAOYSA-N
XLogP4.45
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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
(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
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
2-[4-[2-(3-fluoro-2-methylpyrazolo[1,5-a]pyridin-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 142594572
N,N-dimethyl-2-[4-[2-(7-methyl-3H-indol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 158763846
2-[4-[2-[5-(methoxymethyl)-1-methyl-6-oxo-3-pyridinyl]-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464472
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
2-[4-[2-(2,7-dimethyl-1,3-benzoxazol-5-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 142594148
3-ethyl-2-(2-methyl-4-pyridinyl)-5-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 134330051
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 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) is 2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide is CCc1c(-c2cc(F)c3nccn3c2)[nH]c2ccc(C3CCN(CC(=O)N(C)C)CC3)cc12.
What is the InChIKey of 2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is VXLBJKATYZXICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O/c1-4-20-21-13-18(17-7-10-31(11-8-17)16-24(33)30(2)3)5-6-23(21)29-25(20)19-14-22(27)26-28-9-12-32(26)15-19/h5-6,9,12-15,17,29H,4,7-8,10-11,16H2,1-3H3.
What are the key properties of 2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 447.56 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-ethyl-2-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 161426605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).