(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide

C136H173F15N16O10 — CID 167590075

IUPAC(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccccn2)C2(C(C)(F)F)CC2)N(C)C)cc1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2cnc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)cc1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccccc2)C2(C(C)(F)F)CC2)N(C)C)cc1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccccn2)C2(C(C)(F)F)CC2)N(C)C)cc1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cnc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)cc1F
InChIInChI=1S/C28H35F3N2O2.2C27H35F3N4O2.2C27H34F3N3O2/c1-5-25(34)22-12-11-19(16-24(22)29)15-21(33(3)4)18-32-26(35)17-23(20-9-7-6-8-10-20)28(13-14-28)27(2,30)31;2*1-6-24(35)21-8-7-18(12-23(21)28)11-20(34(4)5)16-33-25(36)13-22(19-14-31-17(2)32-15-19)27(9-10-27)26(3,29)30;2*1-5-24(34)20-10-9-18(15-22(20)28)14-19(33(3)4)17-32-25(35)16-21(23-8-6-7-13-31-23)27(11-12-27)26(2,29)30/h6-12,16,21,23H,5,13-15,17-18H2,1-4H3,(H,32,35);2*7-8,12,14-15,20,22H,6,9-11,13,16H2,1-5H3,(H,33,36);2*6-10,13,15,19,21H,5,11-12,14,16-17H2,1-4H3,(H,32,35)/t21-,23+;20-,22+;20-,22-;19-,21+;19-,21-/m00000/s1
InChIKeyIHXLOMUIEOEFHH-BSPIINHQSA-N
MW2476.95 g/mol
LogP25.07
Rot. Bonds60

About (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide

(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide (PubChem CID 167590075) has the molecular formula C136H173F15N16O10 and a molecular weight of 2476.95 g/mol. Its IUPAC name is (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide
PubChem CID167590075
Molecular FormulaC136H173F15N16O10
Molecular Weight2476.95 g/mol
Exact Mass2475.33
IUPAC Name(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccccn2)C2(C(C)(F)F)CC2)N(C)C)cc1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2cnc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)cc1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccccc2)C2(C(C)(F)F)CC2)N(C)C)cc1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccccn2)C2(C(C)(F)F)CC2)N(C)C)cc1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cnc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)cc1F
InChIInChI=1S/C28H35F3N2O2.2C27H35F3N4O2.2C27H34F3N3O2/c1-5-25(34)22-12-11-19(16-24(22)29)15-21(33(3)4)18-32-26(35)17-23(20-9-7-6-8-10-20)28(13-14-28)27(2,30)31;2*1-6-24(35)21-8-7-18(12-23(21)28)11-20(34(4)5)16-33-25(36)13-22(19-14-31-17(2)32-15-19)27(9-10-27)26(3,29)30;2*1-5-24(34)20-10-9-18(15-22(20)28)14-19(33(3)4)17-32-25(35)16-21(23-8-6-7-13-31-23)27(11-12-27)26(2,29)30/h6-12,16,21,23H,5,13-15,17-18H2,1-4H3,(H,32,35);2*7-8,12,14-15,20,22H,6,9-11,13,16H2,1-5H3,(H,33,36);2*6-10,13,15,19,21H,5,11-12,14,16-17H2,1-4H3,(H,32,35)/t21-,23+;20-,22+;20-,22-;19-,21+;19-,21-/m00000/s1
InChIKeyIHXLOMUIEOEFHH-BSPIINHQSA-N
XLogP25.07
TPSA324.39 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds60
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002476.95
LogP ≤ 525.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide with MolForge

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Related Compounds

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4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluoro-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]benzamide
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3-(2-fluoro-5-(pyrimidin-2-yl)-4-(trifluoromethyl)benzamido)-N-methyl-2-phenyl-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxamide
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4-(5-(2-Fluoro-5-(pyrimidin-2-yl)-4-(trifluoromethyl)benzamido)-6-phenylpyridin-3-yl)piperazine-1-carboxamide
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4-methyl-N-[[(2R,4S,5R)-5-(6-pentan-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide
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US9896452, Example 109
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2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]ethanone
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(5-methyl-2-pyrimidin-2-ylphenyl)-[(7S)-7-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone
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CID 67101814

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide (CID 167590075) is (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide is CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccccn2)C2(C(C)(F)F)CC2)N(C)C)cc1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2cnc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)cc1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccccc2)C2(C(C)(F)F)CC2)N(C)C)cc1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccccn2)C2(C(C)(F)F)CC2)N(C)C)cc1F.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cnc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)cc1F.
What is the InChIKey of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide?
The InChIKey is IHXLOMUIEOEFHH-BSPIINHQSA-N. The full InChI is InChI=1S/C28H35F3N2O2.2C27H35F3N4O2.2C27H34F3N3O2/c1-5-25(34)22-12-11-19(16-24(22)29)15-21(33(3)4)18-32-26(35)17-23(20-9-7-6-8-10-20)28(13-14-28)27(2,30)31;2*1-6-24(35)21-8-7-18(12-23(21)28)11-20(34(4)5)16-33-25(36)13-22(19-14-31-17(2)32-15-19)27(9-10-27)26(3,29)30;2*1-5-24(34)20-10-9-18(15-22(20)28)14-19(33(3)4)17-32-25(35)16-21(23-8-6-7-13-31-23)27(11-12-27)26(2,29)30/h6-12,16,21,23H,5,13-15,17-18H2,1-4H3,(H,32,35);2*7-8,12,14-15,20,22H,6,9-11,13,16H2,1-5H3,(H,33,36);2*6-10,13,15,19,21H,5,11-12,14,16-17H2,1-4H3,(H,32,35)/t21-,23+;20-,22+;20-,22-;19-,21+;19-,21-/m00000/s1.
What are the key properties of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide?
(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide has a molecular weight of 2476.95 g/mol, XLogP of 25.07, 60 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-(2-methylpyrimidin-5-yl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 167590075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).