N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide

C88H101Cl2F7N12O11 — CID 87336276

IUPACN-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C(F)(F)F)c3Cl)cc2)nc1C(O)C(C)C.CCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C(F)(F)F)c3Cl)cc2F)nc1C(C)(C)O.Cc1cccn2cc(-c3ccc(CC(CNC(=O)C(C)N)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)nc12
InChIInChI=1S/C31H34N6O3.C29H35ClF3N3O4.C28H32ClF4N3O4/c1-19(2)40-28-12-11-24(15-25(28)16-32)31(39)35-26(17-34-30(38)21(4)33)14-22-7-9-23(10-8-22)27-18-37-13-5-6-20(3)29(37)36-27;1-5-36-15-22(35-28(36)26(38)16(2)3)19-8-6-18(7-9-19)14-20(12-13-37)24-21(27(34)39)10-11-23(25(24)30)40-17(4)29(31,32)33;1-5-36-14-21(35-26(36)27(3,4)39)18-7-6-16(13-20(18)30)12-17(10-11-37)23-19(25(34)38)8-9-22(24(23)29)40-15(2)28(31,32)33/h5-13,15,18-19,21,26H,14,17,33H2,1-4H3,(H,34,38)(H,35,39);6-11,15-17,20,26,37-38H,5,12-14H2,1-4H3,(H2,34,39);6-9,13-15,17,37,39H,5,10-12H2,1-4H3,(H2,34,38)
InChIKeyCNATXDGUTBYYRM-UHFFFAOYSA-N
MW1706.74 g/mol
LogP15.55
Rot. Bonds33

About N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide

N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide (PubChem CID 87336276) has the molecular formula C88H101Cl2F7N12O11 and a molecular weight of 1706.74 g/mol. Its IUPAC name is N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide.

Molecular Properties

Compound NameN-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
PubChem CID87336276
Molecular FormulaC88H101Cl2F7N12O11
Molecular Weight1706.74 g/mol
Exact Mass1704.70
IUPAC NameN-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide
SMILESCCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C(F)(F)F)c3Cl)cc2)nc1C(O)C(C)C.CCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C(F)(F)F)c3Cl)cc2F)nc1C(C)(C)O.Cc1cccn2cc(-c3ccc(CC(CNC(=O)C(C)N)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)nc12
InChIInChI=1S/C31H34N6O3.C29H35ClF3N3O4.C28H32ClF4N3O4/c1-19(2)40-28-12-11-24(15-25(28)16-32)31(39)35-26(17-34-30(38)21(4)33)14-22-7-9-23(10-8-22)27-18-37-13-5-6-20(3)29(37)36-27;1-5-36-15-22(35-28(36)26(38)16(2)3)19-8-6-18(7-9-19)14-20(12-13-37)24-21(27(34)39)10-11-23(25(24)30)40-17(4)29(31,32)33;1-5-36-14-21(35-26(36)27(3,4)39)18-7-6-16(13-20(18)30)12-17(10-11-37)23-19(25(34)38)8-9-22(24(23)29)40-15(2)28(31,32)33/h5-13,15,18-19,21,26H,14,17,33H2,1-4H3,(H,34,38)(H,35,39);6-11,15-17,20,26,37-38H,5,12-14H2,1-4H3,(H2,34,39);6-9,13-15,17,37,39H,5,10-12H2,1-4H3,(H2,34,38)
InChIKeyCNATXDGUTBYYRM-UHFFFAOYSA-N
XLogP15.55
TPSA355.74 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds33
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001706.74
LogP ≤ 515.55
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The IUPAC name of N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide (CID 87336276) is N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide.
What is the SMILES notation for N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The canonical SMILES for N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide is CCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C(F)(F)F)c3Cl)cc2)nc1C(O)C(C)C.CCn1cc(-c2ccc(CC(CCO)c3c(C(N)=O)ccc(OC(C)C(F)(F)F)c3Cl)cc2F)nc1C(C)(C)O.Cc1cccn2cc(-c3ccc(CC(CNC(=O)C(C)N)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)nc12.
What is the InChIKey of N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
The InChIKey is CNATXDGUTBYYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O3.C29H35ClF3N3O4.C28H32ClF4N3O4/c1-19(2)40-28-12-11-24(15-25(28)16-32)31(39)35-26(17-34-30(38)21(4)33)14-22-7-9-23(10-8-22)27-18-37-13-5-6-20(3)29(37)36-27;1-5-36-15-22(35-28(36)26(38)16(2)3)19-8-6-18(7-9-19)14-20(12-13-37)24-21(27(34)39)10-11-23(25(24)30)40-17(4)29(31,32)33;1-5-36-14-21(35-26(36)27(3,4)39)18-7-6-16(13-20(18)30)12-17(10-11-37)23-19(25(34)38)8-9-22(24(23)29)40-15(2)28(31,32)33/h5-13,15,18-19,21,26H,14,17,33H2,1-4H3,(H,34,38)(H,35,39);6-11,15-17,20,26,37-38H,5,12-14H2,1-4H3,(H2,34,39);6-9,13-15,17,37,39H,5,10-12H2,1-4H3,(H2,34,38).
What are the key properties of N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide?
N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide has a molecular weight of 1706.74 g/mol, XLogP of 15.55, 33 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminopropanoylamino)-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-cyano-4-propan-2-yloxybenzamide;3-chloro-2-[1-[4-[1-ethyl-2-(1-hydroxy-2-methylpropyl)imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide;3-chloro-2-[1-[4-[1-ethyl-2-(2-hydroxypropan-2-yl)imidazol-4-yl]-3-fluorophenyl]-4-hydroxybutan-2-yl]-4-(1,1,1-trifluoropropan-2-yloxy)benzamide is sourced from PubChem (CID 87336276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).