imidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate

C20H19N3O2 — CID 71858389

IUPACimidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate
SMILESO=C(CCCc1c[nH]c2ccccc12)OCc1cnc2ccccn12
InChIInChI=1S/C20H19N3O2/c24-20(25-14-16-13-22-19-9-3-4-11-23(16)19)10-5-6-15-12-21-18-8-2-1-7-17(15)18/h1-4,7-9,11-13,21H,5-6,10,14H2
InChIKeyASBRQFFFMRFANJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.88
Rot. Bonds6

About imidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate

imidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate (PubChem CID 71858389) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate
PubChem CID71858389
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Nameimidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate
SMILESO=C(CCCc1c[nH]c2ccccc12)OCc1cnc2ccccn12
InChIInChI=1S/C20H19N3O2/c24-20(25-14-16-13-22-19-9-3-4-11-23(16)19)10-5-6-15-12-21-18-8-2-1-7-17(15)18/h1-4,7-9,11-13,21H,5-6,10,14H2
InChIKeyASBRQFFFMRFANJ-UHFFFAOYSA-N
XLogP3.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
4-(1H-indol-3-yl)butanamide
CID 588715
(3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate
CID 7541533
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614640
pentyl 3-(1H-indol-3-yl)propanoate
CID 70811312
3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate
CID 7169174
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7541618
4-(1H-indol-3-yl)-1-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]butan-1-one
CID 38717084
S-amino 4-(1H-indol-3-yl)butanethioate
CID 87254354
(2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate
CID 174814617
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate?
The IUPAC name of imidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate (CID 71858389) is imidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for imidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate is O=C(CCCc1c[nH]c2ccccc12)OCc1cnc2ccccn12.
What is the InChIKey of imidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate?
The InChIKey is ASBRQFFFMRFANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(25-14-16-13-22-19-9-3-4-11-23(16)19)10-5-6-15-12-21-18-8-2-1-7-17(15)18/h1-4,7-9,11-13,21H,5-6,10,14H2.
What are the key properties of imidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate?
imidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate has a molecular weight of 333.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-3-ylmethyl 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 71858389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).