ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate

C24H23N3O2 — CID 138982849

IUPACethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(C)c1)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C24H23N3O2/c1-3-29-24(28)22(25-19-13-9-10-17(2)16-19)23-21(18-11-5-4-6-12-18)26-20-14-7-8-15-27(20)23/h4-16,22,25H,3H2,1-2H3
InChIKeyNPEGVDBBYVGVHF-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.03
Rot. Bonds6

About ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate

ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (PubChem CID 138982849) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
PubChem CID138982849
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Nameethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)C(Nc1cccc(C)c1)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C24H23N3O2/c1-3-29-24(28)22(25-19-13-9-10-17(2)16-19)23-21(18-11-5-4-6-12-18)26-20-14-7-8-15-27(20)23/h4-16,22,25H,3H2,1-2H3
InChIKeyNPEGVDBBYVGVHF-UHFFFAOYSA-N
XLogP5.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 138983171
ethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate
CID 155935522
ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847842
1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 4825752
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
ethyl 3-phenyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaene-5-carboxylate
CID 10591570
benzyl N-[1-(2-phenylimidazo[1,2-a]pyridin-3-yl)hexyl]carbamate
CID 142744379
ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
CID 10479731
(2S)-2-(3-methylanilino)pentanoic acid
CID 40788448
ethyl 3-[(S)-(3-methylanilino)-phenylmethyl]indolizine-1-carboxylate
CID 146270141
ethyl 3-methyl-2-(3-methylanilino)butanoate
CID 61318293
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pentanamide
CID 3828486

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The IUPAC name of ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (CID 138982849) is ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The canonical SMILES for ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is CCOC(=O)C(Nc1cccc(C)c1)c1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The InChIKey is NPEGVDBBYVGVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-3-29-24(28)22(25-19-13-9-10-17(2)16-19)23-21(18-11-5-4-6-12-18)26-20-14-7-8-15-27(20)23/h4-16,22,25H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate has a molecular weight of 385.47 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is sourced from PubChem (CID 138982849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).