3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide

C156H176Cl5F3N20O14 — CID 173100787

IUPAC3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide
SMILESCc1cccn2cc(-c3ccc(C[C@@H](CN4CCC(O)C4)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CN4CCC(O)CC4)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CN4CCC[C@@H]4CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CN4CCC[C@H]4CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CNCC(F)(F)F)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12
InChIInChI=1S/3C32H37ClN4O3.C31H35ClN4O3.C29H30ClF3N4O2/c2*1-21(2)40-30-13-12-25(17-28(30)33)32(39)34-26(18-36-14-5-7-27(36)20-38)16-23-8-10-24(11-9-23)29-19-37-15-4-6-22(3)31(37)35-29;1-21(2)40-30-11-10-25(18-28(30)33)32(39)34-26(19-36-15-12-27(38)13-16-36)17-23-6-8-24(9-7-23)29-20-37-14-4-5-22(3)31(37)35-29;1-20(2)39-29-11-10-24(16-27(29)32)31(38)33-25(17-35-14-12-26(37)18-35)15-22-6-8-23(9-7-22)28-19-36-13-4-5-21(3)30(36)34-28;1-18(2)39-26-11-10-22(14-24(26)30)28(38)35-23(15-34-17-29(31,32)33)13-20-6-8-21(9-7-20)25-16-37-12-4-5-19(3)27(37)36-25/h2*4,6,8-13,15,17,19,21,26-27,38H,5,7,14,16,18,20H2,1-3H3,(H,34,39);4-11,14,18,20-21,26-27,38H,12-13,15-17,19H2,1-3H3,(H,34,39);4-11,13,16,19-20,25-26,37H,12,14-15,17-18H2,1-3H3,(H,33,38);4-12,14,16,18,23,34H,13,15,17H2,1-3H3,(H,35,38)/t26-,27+;26-,27-;26-;25-,26?;23-/m00000/s1
InChIKeyYBNYGMMQULIGAK-RNXMEOHUSA-N
MW2789.51 g/mol
LogP28.05
Rot. Bonds48

About 3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide

3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 173100787) has the molecular formula C156H176Cl5F3N20O14 and a molecular weight of 2789.51 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide
PubChem CID173100787
Molecular FormulaC156H176Cl5F3N20O14
Molecular Weight2789.51 g/mol
Exact Mass2785.21
IUPAC Name3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide
SMILESCc1cccn2cc(-c3ccc(C[C@@H](CN4CCC(O)C4)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CN4CCC(O)CC4)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CN4CCC[C@@H]4CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CN4CCC[C@H]4CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CNCC(F)(F)F)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12
InChIInChI=1S/3C32H37ClN4O3.C31H35ClN4O3.C29H30ClF3N4O2/c2*1-21(2)40-30-13-12-25(17-28(30)33)32(39)34-26(18-36-14-5-7-27(36)20-38)16-23-8-10-24(11-9-23)29-19-37-15-4-6-22(3)31(37)35-29;1-21(2)40-30-11-10-25(18-28(30)33)32(39)34-26(19-36-15-12-27(38)13-16-36)17-23-6-8-24(9-7-23)29-20-37-14-4-5-22(3)31(37)35-29;1-20(2)39-29-11-10-24(16-27(29)32)31(38)33-25(17-35-14-12-26(37)18-35)15-22-6-8-23(9-7-22)28-19-36-13-4-5-21(3)30(36)34-28;1-18(2)39-26-11-10-22(14-24(26)30)28(38)35-23(15-34-17-29(31,32)33)13-20-6-8-21(9-7-20)25-16-37-12-4-5-19(3)27(37)36-25/h2*4,6,8-13,15,17,19,21,26-27,38H,5,7,14,16,18,20H2,1-3H3,(H,34,39);4-11,14,18,20-21,26-27,38H,12-13,15-17,19H2,1-3H3,(H,34,39);4-11,13,16,19-20,25-26,37H,12,14-15,17-18H2,1-3H3,(H,33,38);4-12,14,16,18,23,34H,13,15,17H2,1-3H3,(H,35,38)/t26-,27+;26-,27-;26-;25-,26?;23-/m00000/s1
InChIKeyYBNYGMMQULIGAK-RNXMEOHUSA-N
XLogP28.05
TPSA384.06 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds48
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002789.51
LogP ≤ 528.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide (CID 173100787) is 3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide is Cc1cccn2cc(-c3ccc(C[C@@H](CN4CCC(O)C4)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CN4CCC(O)CC4)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CN4CCC[C@@H]4CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CN4CCC[C@H]4CO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.Cc1cccn2cc(-c3ccc(C[C@@H](CNCC(F)(F)F)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.
What is the InChIKey of 3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is YBNYGMMQULIGAK-RNXMEOHUSA-N. The full InChI is InChI=1S/3C32H37ClN4O3.C31H35ClN4O3.C29H30ClF3N4O2/c2*1-21(2)40-30-13-12-25(17-28(30)33)32(39)34-26(18-36-14-5-7-27(36)20-38)16-23-8-10-24(11-9-23)29-19-37-15-4-6-22(3)31(37)35-29;1-21(2)40-30-11-10-25(18-28(30)33)32(39)34-26(19-36-15-12-27(38)13-16-36)17-23-6-8-24(9-7-23)29-20-37-14-4-5-22(3)31(37)35-29;1-20(2)39-29-11-10-24(16-27(29)32)31(38)33-25(17-35-14-12-26(37)18-35)15-22-6-8-23(9-7-22)28-19-36-13-4-5-21(3)30(36)34-28;1-18(2)39-26-11-10-22(14-24(26)30)28(38)35-23(15-34-17-29(31,32)33)13-20-6-8-21(9-7-20)25-16-37-12-4-5-19(3)27(37)36-25/h2*4,6,8-13,15,17,19,21,26-27,38H,5,7,14,16,18,20H2,1-3H3,(H,34,39);4-11,14,18,20-21,26-27,38H,12-13,15-17,19H2,1-3H3,(H,34,39);4-11,13,16,19-20,25-26,37H,12,14-15,17-18H2,1-3H3,(H,33,38);4-12,14,16,18,23,34H,13,15,17H2,1-3H3,(H,35,38)/t26-,27+;26-,27-;26-;25-,26?;23-/m00000/s1.
What are the key properties of 3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide?
3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 2789.51 g/mol, XLogP of 28.05, 48 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-3-(2,2,2-trifluoroethylamino)propan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 173100787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).