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

C22H32N4O2 — CID 110223764

IUPAC[3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCC(C)(C)Nc1c(C2CCCN(C(=O)C3CCOCC3)C2)nc2ccccn12
InChIInChI=1S/C22H32N4O2/c1-22(2,3)24-20-19(23-18-8-4-5-12-26(18)20)17-7-6-11-25(15-17)21(27)16-9-13-28-14-10-16/h4-5,8,12,16-17,24H,6-7,9-11,13-15H2,1-3H3
InChIKeyDNXVPEBWDPKZSE-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.68
Rot. Bonds3

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

[3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 110223764) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID110223764
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name[3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCC(C)(C)Nc1c(C2CCCN(C(=O)C3CCOCC3)C2)nc2ccccn12
InChIInChI=1S/C22H32N4O2/c1-22(2,3)24-20-19(23-18-8-4-5-12-26(18)20)17-7-6-11-25(15-17)21(27)16-9-13-28-14-10-16/h4-5,8,12,16-17,24H,6-7,9-11,13-15H2,1-3H3
InChIKeyDNXVPEBWDPKZSE-UHFFFAOYSA-N
XLogP3.68
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone (CID 110223764) is [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone is CC(C)(C)Nc1c(C2CCCN(C(=O)C3CCOCC3)C2)nc2ccccn12.
What is the InChIKey of [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is DNXVPEBWDPKZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-22(2,3)24-20-19(23-18-8-4-5-12-26(18)20)17-7-6-11-25(15-17)21(27)16-9-13-28-14-10-16/h4-5,8,12,16-17,24H,6-7,9-11,13-15H2,1-3H3.
What are the key properties of [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
[3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 384.52 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 110223764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).