azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

C21H26ClN5O2 — CID 29214811

IUPACazocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCN(Cc1ccon1)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12
InChIInChI=1S/C21H26ClN5O2/c1-25(14-17-9-12-29-24-17)15-18-20(23-19-8-7-16(22)13-27(18)19)21(28)26-10-5-3-2-4-6-11-26/h7-9,12-13H,2-6,10-11,14-15H2,1H3
InChIKeyBKPPQHDTFQJPSR-UHFFFAOYSA-N
MW415.93 g/mol
LogP4.01
Rot. Bonds5

About azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone

azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 29214811) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID29214811
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Nameazocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCN(Cc1ccon1)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12
InChIInChI=1S/C21H26ClN5O2/c1-25(14-17-9-12-29-24-17)15-18-20(23-19-8-7-16(22)13-27(18)19)21(28)26-10-5-3-2-4-6-11-26/h7-9,12-13H,2-6,10-11,14-15H2,1H3
InChIKeyBKPPQHDTFQJPSR-UHFFFAOYSA-N
XLogP4.01
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 29214811) is azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is CN(Cc1ccon1)Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12.
What is the InChIKey of azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is BKPPQHDTFQJPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c1-25(14-17-9-12-29-24-17)15-18-20(23-19-8-7-16(22)13-27(18)19)21(28)26-10-5-3-2-4-6-11-26/h7-9,12-13H,2-6,10-11,14-15H2,1H3.
What are the key properties of azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 415.93 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[6-chloro-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 29214811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).