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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

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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