(2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide

C153H196N24O18 — CID 158182746

IUPAC(2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CC(C)=O)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CN(C)C)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(N(C)C)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(N)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc([N+](=O)[O-])cc3)c2n1)C1CCOCC1
InChIInChI=1S/C32H43N5O3.C32H40N4O4.C31H41N5O3.C29H35N5O5.C29H37N5O3/c1-5-22(2)31(38)34-29(25-14-18-40-19-15-25)32(39)37-17-7-9-28(37)27-21-36-16-6-8-26(30(36)33-27)24-12-10-23(11-13-24)20-35(3)4;1-4-21(2)31(38)34-29(25-13-17-40-18-14-25)32(39)36-16-6-8-28(36)27-20-35-15-5-7-26(30(35)33-27)24-11-9-23(10-12-24)19-22(3)37;1-5-21(2)30(37)33-28(23-14-18-39-19-15-23)31(38)36-17-7-9-27(36)26-20-35-16-6-8-25(29(35)32-26)22-10-12-24(13-11-22)34(3)4;1-3-19(2)28(35)31-26(21-12-16-39-17-13-21)29(36)33-15-5-7-25(33)24-18-32-14-4-6-23(27(32)30-24)20-8-10-22(11-9-20)34(37)38;1-3-19(2)28(35)32-26(21-12-16-37-17-13-21)29(36)34-15-5-7-25(34)24-18-33-14-4-6-23(27(33)31-24)20-8-10-22(30)11-9-20/h6,8,10-13,16,21-22,25,28-29H,5,7,9,14-15,17-20H2,1-4H3,(H,34,38);5,7,9-12,15,20-21,25,28-29H,4,6,8,13-14,16-19H2,1-3H3,(H,34,38);6,8,10-13,16,20-21,23,27-28H,5,7,9,14-15,17-19H2,1-4H3,(H,33,37);4,6,8-11,14,18-19,21,25-26H,3,5,7,12-13,15-17H2,1-2H3,(H,31,35);4,6,8-11,14,18-19,21,25-26H,3,5,7,12-13,15-17,30H2,1-2H3,(H,32,35)/t22-,28+,29+;21-,28+,29+;21-,27+,28+;2*19-,25+,26+/m11111/s1
InChIKeyFYUHCOKOMQDWRR-GGLFLPBUSA-N
MW2659.40 g/mol
LogP22.86
Rot. Bonds41

About (2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide

(2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide (PubChem CID 158182746) has the molecular formula C153H196N24O18 and a molecular weight of 2659.40 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide
PubChem CID158182746
Molecular FormulaC153H196N24O18
Molecular Weight2659.40 g/mol
Exact Mass2657.52
IUPAC Name(2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CC(C)=O)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CN(C)C)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(N(C)C)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(N)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc([N+](=O)[O-])cc3)c2n1)C1CCOCC1
InChIInChI=1S/C32H43N5O3.C32H40N4O4.C31H41N5O3.C29H35N5O5.C29H37N5O3/c1-5-22(2)31(38)34-29(25-14-18-40-19-15-25)32(39)37-17-7-9-28(37)27-21-36-16-6-8-26(30(36)33-27)24-12-10-23(11-13-24)20-35(3)4;1-4-21(2)31(38)34-29(25-13-17-40-18-14-25)32(39)36-16-6-8-28(36)27-20-35-15-5-7-26(30(35)33-27)24-11-9-23(10-12-24)19-22(3)37;1-5-21(2)30(37)33-28(23-14-18-39-19-15-23)31(38)36-17-7-9-27(36)26-20-35-16-6-8-25(29(35)32-26)22-10-12-24(13-11-22)34(3)4;1-3-19(2)28(35)31-26(21-12-16-39-17-13-21)29(36)33-15-5-7-25(33)24-18-32-14-4-6-23(27(32)30-24)20-8-10-22(11-9-20)34(37)38;1-3-19(2)28(35)32-26(21-12-16-37-17-13-21)29(36)34-15-5-7-25(34)24-18-33-14-4-6-23(27(33)31-24)20-8-10-22(30)11-9-20/h6,8,10-13,16,21-22,25,28-29H,5,7,9,14-15,17-20H2,1-4H3,(H,34,38);5,7,9-12,15,20-21,25,28-29H,4,6,8,13-14,16-19H2,1-3H3,(H,34,38);6,8,10-13,16,20-21,23,27-28H,5,7,9,14-15,17-19H2,1-4H3,(H,33,37);4,6,8-11,14,18-19,21,25-26H,3,5,7,12-13,15-17H2,1-2H3,(H,31,35);4,6,8-11,14,18-19,21,25-26H,3,5,7,12-13,15-17,30H2,1-2H3,(H,32,35)/t22-,28+,29+;21-,28+,29+;21-,27+,28+;2*19-,25+,26+/m11111/s1
InChIKeyFYUHCOKOMQDWRR-GGLFLPBUSA-N
XLogP22.86
TPSA472.41 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds41
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002659.40
LogP ≤ 522.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide with MolForge

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Related Compounds

1-[4-[[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]cyclohexyl]propan-2-one;N-[7-(benzylamino)-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]-2,2,2-trifluoroacetamide;N-benzyl-5-nitro-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;7-N-benzyl-3-propan-2-ylimidazo[4,5-b]pyridine-5,7-diamine;2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,3-diol
CID 157907378
1-[3-[7-[3-(Cyclohexylamino)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-methoxypiperidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-[(1-methylpiperidin-4-yl)amino]propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-pyrrolidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 158030687
N-(cyclopropylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;4-[8-[4-(4-propan-2-ylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 159397925
N-(cyclopropylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(oxolan-2-ylmethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 160671617
(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide
CID 24965055
1-N,4-N-bis[(3S,5S)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-5-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 44633378
1-N-[(3S,5S)-1-[(2S,5S)-5-(methylamino)-2-(oxan-4-yl)-4-oxohexanoyl]-5-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-(oxan-4-yl)acetyl]-5-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 58038926
(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide
CID 58056735
1-N,4-N-bis[1-[2-[2-(methylamino)propanoylamino]-2-(oxan-4-yl)acetyl]-5-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 75060375
1-N-[(3S,5S)-1-[(2S)-2-[[(3S)-3-(methylamino)but-1-en-2-yl]amino]-2-(oxan-4-yl)acetyl]-5-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]-4-N-[(3S,5S)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-(oxan-4-yl)acetyl]-5-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-3-yl]benzene-1,4-dicarboxamide
CID 89097932
4-[8-amino-3-[1-[4-[[1-[4-[[5-[8-amino-1-[4-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-(4-methoxybut-2-enoyl)pyrrolidin-3-yl]methoxy]but-2-enoyl]-5-[8-amino-1-[4-[(4-propan-2-yl-2-pyridinyl)carbamoyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-3-yl]methyl-methylamino]but-2-enoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 123648468
5-[8-[4-(4-ethylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-morpholin-4-ylbutanoyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123870534

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide?
The IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide (CID 158182746) is (2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide.
What is the SMILES notation for (2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide?
The canonical SMILES for (2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CC(C)=O)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CN(C)C)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(N(C)C)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(N)cc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc([N+](=O)[O-])cc3)c2n1)C1CCOCC1.
What is the InChIKey of (2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide?
The InChIKey is FYUHCOKOMQDWRR-GGLFLPBUSA-N. The full InChI is InChI=1S/C32H43N5O3.C32H40N4O4.C31H41N5O3.C29H35N5O5.C29H37N5O3/c1-5-22(2)31(38)34-29(25-14-18-40-19-15-25)32(39)37-17-7-9-28(37)27-21-36-16-6-8-26(30(36)33-27)24-12-10-23(11-13-24)20-35(3)4;1-4-21(2)31(38)34-29(25-13-17-40-18-14-25)32(39)36-16-6-8-28(36)27-20-35-15-5-7-26(30(35)33-27)24-11-9-23(10-12-24)19-22(3)37;1-5-21(2)30(37)33-28(23-14-18-39-19-15-23)31(38)36-17-7-9-27(36)26-20-35-16-6-8-25(29(35)32-26)22-10-12-24(13-11-22)34(3)4;1-3-19(2)28(35)31-26(21-12-16-39-17-13-21)29(36)33-15-5-7-25(33)24-18-32-14-4-6-23(27(32)30-24)20-8-10-22(11-9-20)34(37)38;1-3-19(2)28(35)32-26(21-12-16-37-17-13-21)29(36)34-15-5-7-25(34)24-18-33-14-4-6-23(27(33)31-24)20-8-10-22(30)11-9-20/h6,8,10-13,16,21-22,25,28-29H,5,7,9,14-15,17-20H2,1-4H3,(H,34,38);5,7,9-12,15,20-21,25,28-29H,4,6,8,13-14,16-19H2,1-3H3,(H,34,38);6,8,10-13,16,20-21,23,27-28H,5,7,9,14-15,17-19H2,1-4H3,(H,33,37);4,6,8-11,14,18-19,21,25-26H,3,5,7,12-13,15-17H2,1-2H3,(H,31,35);4,6,8-11,14,18-19,21,25-26H,3,5,7,12-13,15-17,30H2,1-2H3,(H,32,35)/t22-,28+,29+;21-,28+,29+;21-,27+,28+;2*19-,25+,26+/m11111/s1.
What are the key properties of (2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide?
(2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide has a molecular weight of 2659.40 g/mol, XLogP of 22.86, 41 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-[(2S)-2-[8-(4-aminophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-[8-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-[8-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[4-(2-oxopropyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 158182746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).