(2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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

C147H190N30O18 — CID 158115376

IUPAC(2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CN(C)C)cc3)c2n1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(N(C)C)cc3)c2n1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(N)cc3)c2n1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(NC(C)=O)cc3)c2n1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc([N+](=O)[O-])cc3)c2n1)C1CCOCC1
InChIInChI=1S/C31H42N6O3.C30H38N6O4.C30H40N6O3.C28H34N6O5.C28H36N6O3/c1-21(32-2)30(38)34-28(24-13-17-40-18-14-24)31(39)37-16-6-8-27(37)26-20-36-15-5-7-25(29(36)33-26)23-11-9-22(10-12-23)19-35(3)4;1-19(31-3)29(38)34-27(22-12-16-40-17-13-22)30(39)36-15-5-7-26(36)25-18-35-14-4-6-24(28(35)33-25)21-8-10-23(11-9-21)32-20(2)37;1-20(31-2)29(37)33-27(22-13-17-39-18-14-22)30(38)36-16-6-8-26(36)25-19-35-15-5-7-24(28(35)32-25)21-9-11-23(12-10-21)34(3)4;1-18(29-2)27(35)31-25(20-11-15-39-16-12-20)28(36)33-14-4-6-24(33)23-17-32-13-3-5-22(26(32)30-23)19-7-9-21(10-8-19)34(37)38;1-18(30-2)27(35)32-25(20-11-15-37-16-12-20)28(36)34-14-4-6-24(34)23-17-33-13-3-5-22(26(33)31-23)19-7-9-21(29)10-8-19/h5,7,9-12,15,20-21,24,27-28,32H,6,8,13-14,16-19H2,1-4H3,(H,34,38);4,6,8-11,14,18-19,22,26-27,31H,5,7,12-13,15-17H2,1-3H3,(H,32,37)(H,34,38);5,7,9-12,15,19-20,22,26-27,31H,6,8,13-14,16-18H2,1-4H3,(H,33,37);3,5,7-10,13,17-18,20,24-25,29H,4,6,11-12,14-16H2,1-2H3,(H,31,35);3,5,7-10,13,17-18,20,24-25,30H,4,6,11-12,14-16,29H2,1-2H3,(H,32,35)/t21-,27-,28-;19-,26-,27-;20-,26-,27-;2*18-,24-,25-/m00000/s1
InChIKeyFQXZHSRYMMQFLW-LHTMMYQFSA-N
MW2665.33 g/mol
LogP15.50
Rot. Bonds40

About (2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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

(2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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 (PubChem CID 158115376) has the molecular formula C147H190N30O18 and a molecular weight of 2665.33 g/mol. Its IUPAC name is (2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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.

Molecular Properties

Compound Name(2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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
PubChem CID158115376
Molecular FormulaC147H190N30O18
Molecular Weight2665.33 g/mol
Exact Mass2663.49
IUPAC Name(2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CN(C)C)cc3)c2n1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(N(C)C)cc3)c2n1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(N)cc3)c2n1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(NC(C)=O)cc3)c2n1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc([N+](=O)[O-])cc3)c2n1)C1CCOCC1
InChIInChI=1S/C31H42N6O3.C30H38N6O4.C30H40N6O3.C28H34N6O5.C28H36N6O3/c1-21(32-2)30(38)34-28(24-13-17-40-18-14-24)31(39)37-16-6-8-27(37)26-20-36-15-5-7-25(29(36)33-26)23-11-9-22(10-12-23)19-35(3)4;1-19(31-3)29(38)34-27(22-12-16-40-17-13-22)30(39)36-15-5-7-26(36)25-18-35-14-4-6-24(28(35)33-25)21-8-10-23(11-9-21)32-20(2)37;1-20(31-2)29(37)33-27(22-13-17-39-18-14-22)30(38)36-16-6-8-26(36)25-19-35-15-5-7-24(28(35)32-25)21-9-11-23(12-10-21)34(3)4;1-18(29-2)27(35)31-25(20-11-15-39-16-12-20)28(36)33-14-4-6-24(33)23-17-32-13-3-5-22(26(32)30-23)19-7-9-21(10-8-19)34(37)38;1-18(30-2)27(35)32-25(20-11-15-37-16-12-20)28(36)34-14-4-6-24(34)23-17-33-13-3-5-22(26(33)31-23)19-7-9-21(29)10-8-19/h5,7,9-12,15,20-21,24,27-28,32H,6,8,13-14,16-19H2,1-4H3,(H,34,38);4,6,8-11,14,18-19,22,26-27,31H,5,7,12-13,15-17H2,1-3H3,(H,32,37)(H,34,38);5,7,9-12,15,19-20,22,26-27,31H,6,8,13-14,16-18H2,1-4H3,(H,33,37);3,5,7-10,13,17-18,20,24-25,29H,4,6,11-12,14-16H2,1-2H3,(H,31,35);3,5,7-10,13,17-18,20,24-25,30H,4,6,11-12,14-16,29H2,1-2H3,(H,32,35)/t21-,27-,28-;19-,26-,27-;20-,26-,27-;2*18-,24-,25-/m00000/s1
InChIKeyFQXZHSRYMMQFLW-LHTMMYQFSA-N
XLogP15.50
TPSA544.59 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds40
Heavy Atoms195
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002665.33
LogP ≤ 515.50
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

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 (2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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?
The IUPAC name of (2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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 158115376) is (2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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.
What is the SMILES notation for (2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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?
The canonical SMILES for (2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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 is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(CN(C)C)cc3)c2n1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(N(C)C)cc3)c2n1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(N)cc3)c2n1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cccc(-c3ccc(NC(C)=O)cc3)c2n1)C1CCOCC1.CN[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 (2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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?
The InChIKey is FQXZHSRYMMQFLW-LHTMMYQFSA-N. The full InChI is InChI=1S/C31H42N6O3.C30H38N6O4.C30H40N6O3.C28H34N6O5.C28H36N6O3/c1-21(32-2)30(38)34-28(24-13-17-40-18-14-24)31(39)37-16-6-8-27(37)26-20-36-15-5-7-25(29(36)33-26)23-11-9-22(10-12-23)19-35(3)4;1-19(31-3)29(38)34-27(22-12-16-40-17-13-22)30(39)36-15-5-7-26(36)25-18-35-14-4-6-24(28(35)33-25)21-8-10-23(11-9-21)32-20(2)37;1-20(31-2)29(37)33-27(22-13-17-39-18-14-22)30(38)36-16-6-8-26(36)25-19-35-15-5-7-24(28(35)32-25)21-9-11-23(12-10-21)34(3)4;1-18(29-2)27(35)31-25(20-11-15-39-16-12-20)28(36)33-14-4-6-24(33)23-17-32-13-3-5-22(26(32)30-23)19-7-9-21(10-8-19)34(37)38;1-18(30-2)27(35)32-25(20-11-15-37-16-12-20)28(36)34-14-4-6-24(34)23-17-33-13-3-5-22(26(33)31-23)19-7-9-21(29)10-8-19/h5,7,9-12,15,20-21,24,27-28,32H,6,8,13-14,16-19H2,1-4H3,(H,34,38);4,6,8-11,14,18-19,22,26-27,31H,5,7,12-13,15-17H2,1-3H3,(H,32,37)(H,34,38);5,7,9-12,15,19-20,22,26-27,31H,6,8,13-14,16-18H2,1-4H3,(H,33,37);3,5,7-10,13,17-18,20,24-25,29H,4,6,11-12,14-16H2,1-2H3,(H,31,35);3,5,7-10,13,17-18,20,24-25,30H,4,6,11-12,14-16,29H2,1-2H3,(H,32,35)/t21-,27-,28-;19-,26-,27-;20-,26-,27-;2*18-,24-,25-/m00000/s1.
What are the key properties of (2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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?
(2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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 has a molecular weight of 2665.33 g/mol, XLogP of 15.50, 40 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-2-[(2S)-2-[8-(4-acetamidophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(2S)-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-(methylamino)propanamide;(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 is sourced from PubChem (CID 158115376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).