tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride

C84H138ClN12O8Y3-3 — CID 158029574

IUPACtert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride
SMILESC.C.CC.CC.CC.CC.CC.CC.CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.CNCCN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.CNCCN(C)C(=O)OC(C)(C)C.Cl.O=C(O)Cc1c(-c2ccccc2)nc2ccccn12.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C24H30N4O3.C19H22N4O.C15H12N2O2.C9H20N2O2.6C2H6.2CH4.3CH3.ClH.3Y/c1-24(2,3)31-23(30)27(5)16-15-26(4)21(29)17-19-22(18-11-7-6-8-12-18)25-20-13-9-10-14-28(19)20;1-20-11-13-22(2)18(24)14-16-19(15-8-4-3-5-9-15)21-17-10-6-7-12-23(16)17;18-14(19)10-12-15(11-6-2-1-3-7-11)16-13-8-4-5-9-17(12)13;1-9(2,3)13-8(12)11(5)7-6-10-4;6*1-2;;;;;;;;;/h6-14H,15-17H2,1-5H3;3-10,12,20H,11,13-14H2,1-2H3;1-9H,10H2,(H,18,19);10H,6-7H2,1-5H3;6*1-2H3;2*1H4;3*1H3;1H;;;/q;;;;;;;;;;;;3*-1;;;;
InChIKeyHLRGARQKKDUGTO-UHFFFAOYSA-N
MW1746.27 g/mol
LogP18.99
Rot. Bonds18

About tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride

tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride (PubChem CID 158029574) has the molecular formula C84H138ClN12O8Y3-3 and a molecular weight of 1746.27 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride
PubChem CID158029574
Molecular FormulaC84H138ClN12O8Y3-3
Molecular Weight1746.27 g/mol
Exact Mass1744.76
IUPAC Nametert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride
SMILESC.C.CC.CC.CC.CC.CC.CC.CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.CNCCN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.CNCCN(C)C(=O)OC(C)(C)C.Cl.O=C(O)Cc1c(-c2ccccc2)nc2ccccn12.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C24H30N4O3.C19H22N4O.C15H12N2O2.C9H20N2O2.6C2H6.2CH4.3CH3.ClH.3Y/c1-24(2,3)31-23(30)27(5)16-15-26(4)21(29)17-19-22(18-11-7-6-8-12-18)25-20-13-9-10-14-28(19)20;1-20-11-13-22(2)18(24)14-16-19(15-8-4-3-5-9-15)21-17-10-6-7-12-23(16)17;18-14(19)10-12-15(11-6-2-1-3-7-11)16-13-8-4-5-9-17(12)13;1-9(2,3)13-8(12)11(5)7-6-10-4;6*1-2;;;;;;;;;/h6-14H,15-17H2,1-5H3;3-10,12,20H,11,13-14H2,1-2H3;1-9H,10H2,(H,18,19);10H,6-7H2,1-5H3;6*1-2H3;2*1H4;3*1H3;1H;;;/q;;;;;;;;;;;;3*-1;;;;
InChIKeyHLRGARQKKDUGTO-UHFFFAOYSA-N
XLogP18.99
TPSA212.96 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001746.27
LogP ≤ 518.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride with MolForge

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Related Compounds

Methyl 2-[5-[(4-aminophenyl)methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate;methyl 2-[5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetate;2-[5-[[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-c]pyrimidin-8-yl]acetic acid
CID 157089752
tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate;(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoic acid;pyrazine-2-carbonitrile;pyrazin-2-ylmethanamine;3-(trifluoromethyl)imidazo[1,5-a]pyrazine;3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;2,2,2-trifluoro-N-(pyrazin-2-ylmethyl)acetamide
CID 158826165
2-(3-(((5-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)pyridin-2-yl)methyl)carbamoyl)phenyl)acetic acid
CID 176267919
2-(3-(((6-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)pyridin-3-yl)methyl)carbamoyl)phenyl)acetic acid
CID 176268039
2-(3-((4-(5-(4-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)carbamoyl)phenyl)acetic acid
CID 176268102
2-[5-[[2-(2,6-Difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetic acid;ethane;methyl 2-[5-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]amino]-2-pyridinyl]acetate
CID 144913157
(2S)-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoic acid
CID 146583440
3-[8-(4,5,6-Trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoic acid
CID 146583442
(2S)-3-[8-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoic acid
CID 146583665
3-[8-(1-Methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoic acid
CID 146583667
(3S)-1-[(3R)-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylbutan-1-one;1-(3-methoxypropyl)-2-[(3R)-piperidin-3-yl]benzimidazole;(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid
CID 157147783
(2S)-2-[[2,6-difluoro-4-(propan-2-ylamino)benzoyl]amino]-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid
CID 157207970

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride?
The IUPAC name of tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride (CID 158029574) is tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride?
The canonical SMILES for tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride is C.C.CC.CC.CC.CC.CC.CC.CN(CCN(C)C(=O)OC(C)(C)C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.CNCCN(C)C(=O)Cc1c(-c2ccccc2)nc2ccccn12.CNCCN(C)C(=O)OC(C)(C)C.Cl.O=C(O)Cc1c(-c2ccccc2)nc2ccccn12.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].
What is the InChIKey of tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride?
The InChIKey is HLRGARQKKDUGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3.C19H22N4O.C15H12N2O2.C9H20N2O2.6C2H6.2CH4.3CH3.ClH.3Y/c1-24(2,3)31-23(30)27(5)16-15-26(4)21(29)17-19-22(18-11-7-6-8-12-18)25-20-13-9-10-14-28(19)20;1-20-11-13-22(2)18(24)14-16-19(15-8-4-3-5-9-15)21-17-10-6-7-12-23(16)17;18-14(19)10-12-15(11-6-2-1-3-7-11)16-13-8-4-5-9-17(12)13;1-9(2,3)13-8(12)11(5)7-6-10-4;6*1-2;;;;;;;;;/h6-14H,15-17H2,1-5H3;3-10,12,20H,11,13-14H2,1-2H3;1-9H,10H2,(H,18,19);10H,6-7H2,1-5H3;6*1-2H3;2*1H4;3*1H3;1H;;;/q;;;;;;;;;;;;3*-1;;;;.
What are the key properties of tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride?
tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride has a molecular weight of 1746.27 g/mol, XLogP of 18.99, 18 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(methylamino)ethyl]carbamate;tert-butyl N-methyl-N-[2-[methyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetyl]amino]ethyl]carbamate;carbanide;ethane;methane;N-methyl-N-[2-(methylamino)ethyl]-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide;2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetic acid;tris(yttrium);hydrochloride is sourced from PubChem (CID 158029574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).