N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide

C88H96Cl4N10O11 — CID 87531445

IUPACN-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@H](CCC(N)=O)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn4cccc(C(O)C(C)C)c4n3)cc2)cc1Cl.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn4cccc(Cl)c4n3)cc2)cc1Cl
InChIInChI=1S/C31H36ClN3O4.C30H33ClN4O4.C27H27Cl2N3O3/c1-19(2)29(37)25-6-5-14-35-18-27(34-30(25)35)22-9-7-21(8-10-22)16-24(13-15-36)33-31(38)23-11-12-28(26(32)17-23)39-20(3)4;1-18(2)39-27-12-10-22(16-25(27)31)30(38)33-23(11-13-28(32)37)15-20-6-8-21(9-7-20)26-17-35-14-4-5-24(19(3)36)29(35)34-26;1-17(2)35-25-10-9-20(15-23(25)29)27(34)30-21(11-13-33)14-18-5-7-19(8-6-18)24-16-32-12-3-4-22(28)26(32)31-24/h5-12,14,17-20,24,29,36-37H,13,15-16H2,1-4H3,(H,33,38);4-10,12,14,16-19,23,36H,11,13,15H2,1-3H3,(H2,32,37)(H,33,38);3-10,12,15-17,21,33H,11,13-14H2,1-2H3,(H,30,34)/t24-,29?;19?,23-;21-/m111/s1
InChIKeyVORYSPNGDFWJJN-XOUZJQJTSA-N
MW1611.61 g/mol
LogP16.78
Rot. Bonds31

About N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide

N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 87531445) has the molecular formula C88H96Cl4N10O11 and a molecular weight of 1611.61 g/mol. Its IUPAC name is N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
PubChem CID87531445
Molecular FormulaC88H96Cl4N10O11
Molecular Weight1611.61 g/mol
Exact Mass1608.60
IUPAC NameN-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N[C@H](CCC(N)=O)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn4cccc(C(O)C(C)C)c4n3)cc2)cc1Cl.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn4cccc(Cl)c4n3)cc2)cc1Cl
InChIInChI=1S/C31H36ClN3O4.C30H33ClN4O4.C27H27Cl2N3O3/c1-19(2)29(37)25-6-5-14-35-18-27(34-30(25)35)22-9-7-21(8-10-22)16-24(13-15-36)33-31(38)23-11-12-28(26(32)17-23)39-20(3)4;1-18(2)39-27-12-10-22(16-25(27)31)30(38)33-23(11-13-28(32)37)15-20-6-8-21(9-7-20)26-17-35-14-4-5-24(19(3)36)29(35)34-26;1-17(2)35-25-10-9-20(15-23(25)29)27(34)30-21(11-13-33)14-18-5-7-19(8-6-18)24-16-32-12-3-4-22(28)26(32)31-24/h5-12,14,17-20,24,29,36-37H,13,15-16H2,1-4H3,(H,33,38);4-10,12,14,16-19,23,36H,11,13,15H2,1-3H3,(H2,32,37)(H,33,38);3-10,12,15-17,21,33H,11,13-14H2,1-2H3,(H,30,34)/t24-,29?;19?,23-;21-/m111/s1
InChIKeyVORYSPNGDFWJJN-XOUZJQJTSA-N
XLogP16.78
TPSA290.90 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds31
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001611.61
LogP ≤ 516.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide (CID 87531445) is N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N[C@H](CCC(N)=O)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn4cccc(C(O)C(C)C)c4n3)cc2)cc1Cl.CC(C)Oc1ccc(C(=O)N[C@H](CCO)Cc2ccc(-c3cn4cccc(Cl)c4n3)cc2)cc1Cl.
What is the InChIKey of N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is VORYSPNGDFWJJN-XOUZJQJTSA-N. The full InChI is InChI=1S/C31H36ClN3O4.C30H33ClN4O4.C27H27Cl2N3O3/c1-19(2)29(37)25-6-5-14-35-18-27(34-30(25)35)22-9-7-21(8-10-22)16-24(13-15-36)33-31(38)23-11-12-28(26(32)17-23)39-20(3)4;1-18(2)39-27-12-10-22(16-25(27)31)30(38)33-23(11-13-28(32)37)15-20-6-8-21(9-7-20)26-17-35-14-4-5-24(19(3)36)29(35)34-26;1-17(2)35-25-10-9-20(15-23(25)29)27(34)30-21(11-13-33)14-18-5-7-19(8-6-18)24-16-32-12-3-4-22(28)26(32)31-24/h5-12,14,17-20,24,29,36-37H,13,15-16H2,1-4H3,(H,33,38);4-10,12,14,16-19,23,36H,11,13,15H2,1-3H3,(H2,32,37)(H,33,38);3-10,12,15-17,21,33H,11,13-14H2,1-2H3,(H,30,34)/t24-,29?;19?,23-;21-/m111/s1.
What are the key properties of N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide?
N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 1611.61 g/mol, XLogP of 16.78, 31 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide;3-chloro-N-[(2S)-4-hydroxy-1-[4-[8-(1-hydroxy-2-methylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 87531445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).