deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate

C109H90F21IN14O11 — CID 157292774

IUPACdeuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate
SMILESC.CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3c(C(F)(F)F)c4cc(F)ccc4n(C)c3=O)c3nccn23)C(=O)O)c(F)c1)C(F)(F)F.COC(=O)[C@@H](N)Cc1ccc(-c2c(C(F)(F)F)c3cc(F)ccc3n(C)c2=O)c2nccn12.COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)c3cc(F)ccc3n(C)c2=O)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.Cn1c(=O)c(I)c(C(F)(F)F)c2cc(F)ccc21.[2H]CC
InChIInChI=1S/C41H32F4N4O3.C32H24F9N5O4.C22H18F4N4O3.C11H6F4INO.C2H6.CH4/c1-48-34-21-18-29(42)24-32(34)36(41(43,44)45)35(38(48)50)31-20-19-30(49-23-22-46-37(31)49)25-33(39(51)52-2)47-40(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;1-3-23(31(36,37)38)43-15-11-19(34)25(20(35)12-15)28(47)44-21(30(49)50)13-16-5-6-17(27-42-8-9-46(16)27)24-26(32(39,40)41)18-10-14(33)4-7-22(18)45(2)29(24)48;1-29-16-6-3-11(23)9-14(16)18(22(24,25)26)17(20(29)31)13-5-4-12(10-15(27)21(32)33-2)30-8-7-28-19(13)30;1-17-7-3-2-5(12)4-6(7)8(11(13,14)15)9(16)10(17)18;1-2;/h3-24,33,47H,25H2,1-2H3;4-12,21,23,43H,3,13H2,1-2H3,(H,44,47)(H,49,50);3-9,15H,10,27H2,1-2H3;2-4H,1H3;1-2H3;1H4/t33-;21-,23+;15-;;;/m000.../s1/i;;;;1D;
InChIKeyBAZMJGBDUMHCNT-SYDBURAPSA-N
MW2298.87 g/mol
LogP22.16
Rot. Bonds22

About deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate

deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate (PubChem CID 157292774) has the molecular formula C109H90F21IN14O11 and a molecular weight of 2298.87 g/mol. Its IUPAC name is deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate.

Molecular Properties

Compound Namedeuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate
PubChem CID157292774
Molecular FormulaC109H90F21IN14O11
Molecular Weight2298.87 g/mol
Exact Mass2297.57
IUPAC Namedeuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate
SMILESC.CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3c(C(F)(F)F)c4cc(F)ccc4n(C)c3=O)c3nccn23)C(=O)O)c(F)c1)C(F)(F)F.COC(=O)[C@@H](N)Cc1ccc(-c2c(C(F)(F)F)c3cc(F)ccc3n(C)c2=O)c2nccn12.COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)c3cc(F)ccc3n(C)c2=O)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.Cn1c(=O)c(I)c(C(F)(F)F)c2cc(F)ccc21.[2H]CC
InChIInChI=1S/C41H32F4N4O3.C32H24F9N5O4.C22H18F4N4O3.C11H6F4INO.C2H6.CH4/c1-48-34-21-18-29(42)24-32(34)36(41(43,44)45)35(38(48)50)31-20-19-30(49-23-22-46-37(31)49)25-33(39(51)52-2)47-40(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;1-3-23(31(36,37)38)43-15-11-19(34)25(20(35)12-15)28(47)44-21(30(49)50)13-16-5-6-17(27-42-8-9-46(16)27)24-26(32(39,40)41)18-10-14(33)4-7-22(18)45(2)29(24)48;1-29-16-6-3-11(23)9-14(16)18(22(24,25)26)17(20(29)31)13-5-4-12(10-15(27)21(32)33-2)30-8-7-28-19(13)30;1-17-7-3-2-5(12)4-6(7)8(11(13,14)15)9(16)10(17)18;1-2;/h3-24,33,47H,25H2,1-2H3;4-12,21,23,43H,3,13H2,1-2H3,(H,44,47)(H,49,50);3-9,15H,10,27H2,1-2H3;2-4H,1H3;1-2H3;1H4/t33-;21-,23+;15-;;;/m000.../s1/i;;;;1D;
InChIKeyBAZMJGBDUMHCNT-SYDBURAPSA-N
XLogP22.16
TPSA308.98 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002298.87
LogP ≤ 522.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-2-[[4-[2-[(3,4-difluorophenyl)methylamino]-9-[[(3R)-piperidin-3-yl]methyl]purin-8-yl]-3-iodobenzoyl]amino]-3-pyridin-2-ylpropanoate
CID 70794162
(2R)-2-[[4-[2-[(3,4-difluorophenyl)methylamino]-9-[[(3R)-piperidin-3-yl]methyl]purin-8-yl]-3-iodobenzoyl]amino]-3-pyridin-2-ylpropanoic acid
CID 70794322
(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid
CID 146583395
2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid
CID 146583396
2-[[2,6-Difluoro-4-[3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid
CID 146583397
(2S)-2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid
CID 146583398
2-[[2,6-difluoro-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid
CID 146583399
(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-(3,5,6-trimethylpyridin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid
CID 146583400
2-[[2,6-Difluoro-4-[3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid
CID 146583401
2-[[2,6-Difluoro-4-(1,1,1-trifluorobutan-2-ylamino)benzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-5-yl]propanoic acid
CID 146583403
(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid
CID 146583404
2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid
CID 146583408

Frequently Asked Questions

What is the IUPAC name of deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate?
The IUPAC name of deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate (CID 157292774) is deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate.
What is the SMILES notation for deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate?
The canonical SMILES for deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate is C.CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3c(C(F)(F)F)c4cc(F)ccc4n(C)c3=O)c3nccn23)C(=O)O)c(F)c1)C(F)(F)F.COC(=O)[C@@H](N)Cc1ccc(-c2c(C(F)(F)F)c3cc(F)ccc3n(C)c2=O)c2nccn12.COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)c3cc(F)ccc3n(C)c2=O)c2nccn12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.Cn1c(=O)c(I)c(C(F)(F)F)c2cc(F)ccc21.[2H]CC.
What is the InChIKey of deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate?
The InChIKey is BAZMJGBDUMHCNT-SYDBURAPSA-N. The full InChI is InChI=1S/C41H32F4N4O3.C32H24F9N5O4.C22H18F4N4O3.C11H6F4INO.C2H6.CH4/c1-48-34-21-18-29(42)24-32(34)36(41(43,44)45)35(38(48)50)31-20-19-30(49-23-22-46-37(31)49)25-33(39(51)52-2)47-40(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;1-3-23(31(36,37)38)43-15-11-19(34)25(20(35)12-15)28(47)44-21(30(49)50)13-16-5-6-17(27-42-8-9-46(16)27)24-26(32(39,40)41)18-10-14(33)4-7-22(18)45(2)29(24)48;1-29-16-6-3-11(23)9-14(16)18(22(24,25)26)17(20(29)31)13-5-4-12(10-15(27)21(32)33-2)30-8-7-28-19(13)30;1-17-7-3-2-5(12)4-6(7)8(11(13,14)15)9(16)10(17)18;1-2;/h3-24,33,47H,25H2,1-2H3;4-12,21,23,43H,3,13H2,1-2H3,(H,44,47)(H,49,50);3-9,15H,10,27H2,1-2H3;2-4H,1H3;1-2H3;1H4/t33-;21-,23+;15-;;;/m000.../s1/i;;;;1D;.
What are the key properties of deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate?
deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate has a molecular weight of 2298.87 g/mol, XLogP of 22.16, 22 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for deuterioethane;(2S)-2-[[2,6-difluoro-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzoyl]amino]-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoic acid;6-fluoro-3-iodo-1-methyl-4-(trifluoromethyl)quinolin-2-one;methane;methyl (2S)-2-amino-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]propanoate;methyl (2S)-3-[8-[6-fluoro-1-methyl-2-oxo-4-(trifluoromethyl)quinolin-3-yl]imidazo[1,2-a]pyridin-5-yl]-2-(tritylamino)propanoate is sourced from PubChem (CID 157292774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).