3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate

C119H136Cl2F3N17O19 — CID 173059561

IUPAC3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate
SMILESCC(C)Oc1ccc(C(=O)NC(CCO)Cc2ccc(-c3cn4cccc(C(C)(C)O)c4n3)cc2)cc1C#N.CC(C)Oc1ccc(C(N)=O)c(C(CNC(=O)CO)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)c1C#N.CCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C(F)(F)F)c3Cl)cc2)nc1C(C)NC(=O)OC.COC(=O)NC(C)c1nc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C)c3Cl)cc2)cn1C
InChIInChI=1S/C31H33N5O5.C31H34N4O4.C29H34ClF3N4O5.C28H35ClN4O5/c1-18(2)41-27-11-10-24(30(33)40)29(25(27)14-32)22(15-34-28(39)17-37)13-20-6-8-21(9-7-20)26-16-36-12-4-5-23(19(3)38)31(36)35-26;1-20(2)39-28-12-11-23(17-24(28)18-32)30(37)33-25(13-15-36)16-21-7-9-22(10-8-21)27-19-35-14-5-6-26(29(35)34-27)31(3,4)38;1-5-37-15-22(36-27(37)16(2)35-28(40)41-4)19-8-6-18(7-9-19)14-20(12-13-38)24-21(26(34)39)10-11-23(25(24)30)42-17(3)29(31,32)33;1-16(2)38-23-11-10-21(26(30)35)24(25(23)29)20(12-13-34)14-18-6-8-19(9-7-18)22-15-33(4)27(32-22)17(3)31-28(36)37-5/h4-12,16,18-19,22,37-38H,13,15,17H2,1-3H3,(H2,33,40)(H,34,39);5-12,14,17,19-20,25,36,38H,13,15-16H2,1-4H3,(H,33,37);6-11,15-17,20,38H,5,12-14H2,1-4H3,(H2,34,39)(H,35,40);6-11,15-17,20,34H,12-14H2,1-5H3,(H2,30,35)(H,31,36)
InChIKeyGGQVNCPDEPVMFC-UHFFFAOYSA-N
MW2236.40 g/mol
LogP18.39
Rot. Bonds44

About 3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate

3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate (PubChem CID 173059561) has the molecular formula C119H136Cl2F3N17O19 and a molecular weight of 2236.40 g/mol. Its IUPAC name is 3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Name3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate
PubChem CID173059561
Molecular FormulaC119H136Cl2F3N17O19
Molecular Weight2236.40 g/mol
Exact Mass2233.95
IUPAC Name3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate
SMILESCC(C)Oc1ccc(C(=O)NC(CCO)Cc2ccc(-c3cn4cccc(C(C)(C)O)c4n3)cc2)cc1C#N.CC(C)Oc1ccc(C(N)=O)c(C(CNC(=O)CO)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)c1C#N.CCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C(F)(F)F)c3Cl)cc2)nc1C(C)NC(=O)OC.COC(=O)NC(C)c1nc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C)c3Cl)cc2)cn1C
InChIInChI=1S/C31H33N5O5.C31H34N4O4.C29H34ClF3N4O5.C28H35ClN4O5/c1-18(2)41-27-11-10-24(30(33)40)29(25(27)14-32)22(15-34-28(39)17-37)13-20-6-8-21(9-7-20)26-16-36-12-4-5-23(19(3)38)31(36)35-26;1-20(2)39-28-12-11-23(17-24(28)18-32)30(37)33-25(13-15-36)16-21-7-9-22(10-8-21)27-19-35-14-5-6-26(29(35)34-27)31(3,4)38;1-5-37-15-22(36-27(37)16(2)35-28(40)41-4)19-8-6-18(7-9-19)14-20(12-13-38)24-21(26(34)39)10-11-23(25(24)30)42-17(3)29(31,32)33;1-16(2)38-23-11-10-21(26(30)35)24(25(23)29)20(12-13-34)14-18-6-8-19(9-7-18)22-15-33(4)27(32-22)17(3)31-28(36)37-5/h4-12,16,18-19,22,37-38H,13,15,17H2,1-3H3,(H2,33,40)(H,34,39);5-12,14,17,19-20,25,36,38H,13,15-16H2,1-4H3,(H,33,37);6-11,15-17,20,38H,5,12-14H2,1-4H3,(H2,34,39)(H,35,40);6-11,15-17,20,34H,12-14H2,1-5H3,(H2,30,35)(H,31,36)
InChIKeyGGQVNCPDEPVMFC-UHFFFAOYSA-N
XLogP18.39
TPSA540.25 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds44
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002236.40
LogP ≤ 518.39
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Analyze 3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate with MolForge

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Related Compounds

3-cyano-N-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-[(3-chloro-4-propan-2-yloxybenzoyl)amino]-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[[3-chloro-4-(1,1,1-trifluoropropan-2-yloxy)benzoyl]amino]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate
CID 173059560
3-chloro-2-[4-hydroxy-1-[4-[2-(N-hydroxy-C-methylcarbonimidoyl)-1-methylimidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 173059727
3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide
CID 173059562
2-[2-[4-(2-tert-butyl-1-methylimidazol-4-yl)phenyl]-1-(1H-1,2,4-triazol-5-yl)ethyl]-3-cyano-4-propan-2-yloxybenzamide;2-[1-[3-chloro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[1-methyl-2-(trifluoromethyl)imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 87336039
N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68651185
N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68652284
2-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 173059130
methyl N-[1-[4-[4-[2-[(3-chloro-4-propan-2-yloxybenzoyl)amino]-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate
CID 68651856
N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68652012
3-cyano-N-[(2S)-1-[4-[1-ethyl-2-(3-hydroxypentan-3-yl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 11620744
N-[1-[4-[1-(2-aminoethyl)-2-tert-butylimidazol-4-yl]phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide;tert-butyl N-[3-[2-tert-butyl-5-[4-[2-[(3-chloro-4-propan-2-yloxybenzoyl)amino]-4-hydroxybutyl]phenyl]-1,2-dihydroimidazol-3-yl]propyl]carbamate;3-cyano-N-[1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-(2-hydroxypropanoylamino)propan-2-yl]-4-propan-2-yloxybenzamide
CID 87336132
3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methane
CID 161057370

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate?
The IUPAC name of 3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate (CID 173059561) is 3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate.
What is the SMILES notation for 3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate?
The canonical SMILES for 3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate is CC(C)Oc1ccc(C(=O)NC(CCO)Cc2ccc(-c3cn4cccc(C(C)(C)O)c4n3)cc2)cc1C#N.CC(C)Oc1ccc(C(N)=O)c(C(CNC(=O)CO)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)c1C#N.CCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C(F)(F)F)c3Cl)cc2)nc1C(C)NC(=O)OC.COC(=O)NC(C)c1nc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C)c3Cl)cc2)cn1C.
What is the InChIKey of 3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate?
The InChIKey is GGQVNCPDEPVMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O5.C31H34N4O4.C29H34ClF3N4O5.C28H35ClN4O5/c1-18(2)41-27-11-10-24(30(33)40)29(25(27)14-32)22(15-34-28(39)17-37)13-20-6-8-21(9-7-20)26-16-36-12-4-5-23(19(3)38)31(36)35-26;1-20(2)39-28-12-11-23(17-24(28)18-32)30(37)33-25(13-15-36)16-21-7-9-22(10-8-21)27-19-35-14-5-6-26(29(35)34-27)31(3,4)38;1-5-37-15-22(36-27(37)16(2)35-28(40)41-4)19-8-6-18(7-9-19)14-20(12-13-38)24-21(26(34)39)10-11-23(25(24)30)42-17(3)29(31,32)33;1-16(2)38-23-11-10-21(26(30)35)24(25(23)29)20(12-13-34)14-18-6-8-19(9-7-18)22-15-33(4)27(32-22)17(3)31-28(36)37-5/h4-12,16,18-19,22,37-38H,13,15,17H2,1-3H3,(H2,33,40)(H,34,39);5-12,14,17,19-20,25,36,38H,13,15-16H2,1-4H3,(H,33,37);6-11,15-17,20,38H,5,12-14H2,1-4H3,(H2,34,39)(H,35,40);6-11,15-17,20,34H,12-14H2,1-5H3,(H2,30,35)(H,31,36).
What are the key properties of 3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate?
3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate has a molecular weight of 2236.40 g/mol, XLogP of 18.39, 44 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-[1-[(2-hydroxyacetyl)amino]-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide;3-cyano-N-[4-hydroxy-1-[4-[8-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methyl N-[1-[4-[4-[2-(6-carbamoyl-2-chloro-3-propan-2-yloxyphenyl)-4-hydroxybutyl]phenyl]-1-methylimidazol-2-yl]ethyl]carbamate;methyl N-[1-[4-[4-[2-[6-carbamoyl-2-chloro-3-(1,1,1-trifluoropropan-2-yloxy)phenyl]-4-hydroxybutyl]phenyl]-1-ethylimidazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 173059561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).