1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone

C22H32N4O2 — CID 110215697

IUPAC1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone
SMILESCC(C)(C)Nc1c(C2CCN(C(=O)CC3CCCO3)CC2)nc2ccccn12
InChIInChI=1S/C22H32N4O2/c1-22(2,3)24-21-20(23-18-8-4-5-11-26(18)21)16-9-12-25(13-10-16)19(27)15-17-7-6-14-28-17/h4-5,8,11,16-17,24H,6-7,9-10,12-15H2,1-3H3
InChIKeyKCNPKOSCJKLKOX-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.82
Rot. Bonds4

About 1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone

1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone (PubChem CID 110215697) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone
PubChem CID110215697
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone
SMILESCC(C)(C)Nc1c(C2CCN(C(=O)CC3CCCO3)CC2)nc2ccccn12
InChIInChI=1S/C22H32N4O2/c1-22(2,3)24-21-20(23-18-8-4-5-11-26(18)21)16-9-12-25(13-10-16)19(27)15-17-7-6-14-28-17/h4-5,8,11,16-17,24H,6-7,9-10,12-15H2,1-3H3
InChIKeyKCNPKOSCJKLKOX-UHFFFAOYSA-N
XLogP3.82
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 110223764
1-[4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 46955549
2-[(2S)-oxolan-2-yl]-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 94112786
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94123933
1-[4-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 92618288
1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 126910018
2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61432285
[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 92553884
[4-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1H-indol-2-yl)methanone
CID 92561711
N-(2-methyl-2-piperidin-1-ylpropyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 86999694
1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-2-[[2-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)imidazo[1,2-a]pyridin-3-yl]amino]ethanone
CID 123546941
2-[(2S)-oxolan-2-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95350486

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone (CID 110215697) is 1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone is CC(C)(C)Nc1c(C2CCN(C(=O)CC3CCCO3)CC2)nc2ccccn12.
What is the InChIKey of 1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
The InChIKey is KCNPKOSCJKLKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-22(2,3)24-21-20(23-18-8-4-5-11-26(18)21)16-9-12-25(13-10-16)19(27)15-17-7-6-14-28-17/h4-5,8,11,16-17,24H,6-7,9-10,12-15H2,1-3H3.
What are the key properties of 1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone has a molecular weight of 384.52 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 110215697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).