ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate

C29H34N6O4 — CID 155484023

IUPACethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCCOC(=O)CCc1cn2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCC(C)(C)CC3)cc2n1
InChIInChI=1S/C29H34N6O4/c1-5-38-26(36)7-6-21-16-35-17-22(24(15-25(35)31-21)34-12-9-29(3,4)10-13-34)32-27(37)23-18-39-28(33-23)20-8-11-30-19(2)14-20/h8,11,14-18H,5-7,9-10,12-13H2,1-4H3,(H,32,37)
InChIKeyMIQSAGNVWXYGAJ-UHFFFAOYSA-N
MW530.63 g/mol
LogP5.07
Rot. Bonds8

About ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate

ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate (PubChem CID 155484023) has the molecular formula C29H34N6O4 and a molecular weight of 530.63 g/mol. Its IUPAC name is ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
PubChem CID155484023
Molecular FormulaC29H34N6O4
Molecular Weight530.63 g/mol
Exact Mass530.26
IUPAC Nameethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCCOC(=O)CCc1cn2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCC(C)(C)CC3)cc2n1
InChIInChI=1S/C29H34N6O4/c1-5-38-26(36)7-6-21-16-35-17-22(24(15-25(35)31-21)34-12-9-29(3,4)10-13-34)32-27(37)23-18-39-28(33-23)20-8-11-30-19(2)14-20/h8,11,14-18H,5-7,9-10,12-13H2,1-4H3,(H,32,37)
InChIKeyMIQSAGNVWXYGAJ-UHFFFAOYSA-N
XLogP5.07
TPSA114.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate with MolForge

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Related Compounds

N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 155483924
2-(2-acetamido-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 170361497
N-[4-amino-5-(methyliminomethyl)-2-pyrrolidin-1-ylphenyl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 138457202
2-(2-methyl-4-pyridinyl)-N-[2-(methylsulfonimidoyl)-7-phenylimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 170361614
N-[1-ethyl-5-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118608558
N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226751
N-[6-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226651
N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
CID 161237860
N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 162329642
2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154998218
N-[5-[(3S)-3-ethylpyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 163922721
N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
CID 158415687

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
The IUPAC name of ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate (CID 155484023) is ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate is CCOC(=O)CCc1cn2cc(NC(=O)c3coc(-c4ccnc(C)c4)n3)c(N3CCC(C)(C)CC3)cc2n1.
What is the InChIKey of ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
The InChIKey is MIQSAGNVWXYGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O4/c1-5-38-26(36)7-6-21-16-35-17-22(24(15-25(35)31-21)34-12-9-29(3,4)10-13-34)32-27(37)23-18-39-28(33-23)20-8-11-30-19(2)14-20/h8,11,14-18H,5-7,9-10,12-13H2,1-4H3,(H,32,37).
What are the key properties of ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate has a molecular weight of 530.63 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[7-(4,4-dimethylpiperidin-1-yl)-6-[[2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate is sourced from PubChem (CID 155484023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).