(3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide

C196H244F12N40O8 — CID 167562782

IUPAC(3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
SMILESCC(F)(F)C1([C@@H](CC(=O)NC[C@@H](N)Cc2ccc3[nH]ncc3c2)c2cccnc2)CC1.CC(F)(F)C1([C@H](CC(=O)NC[C@@H](N)Cc2ccc3[nH]ncc3c2)c2cccnc2)CC1.CN[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc2[nH]ncc2c1.CN[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc2[nH]ncc2c1.Cc1c(C[C@@H](CNC(=O)C[C@@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)ccc2[nH]ncc12.Cc1c(C[C@@H](CNC(=O)C[C@@H](c2cccnc2)C2(C)CC2)N(C)C)ccc2[nH]ncc12.Cc1c(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)ccc2[nH]ncc12.Cc1c(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C)CC2)N(C)C)ccc2[nH]ncc12
InChIInChI=1S/2C26H33F2N5O.2C25H33N5O.2C24H29F2N5O.2C23H27F2N5O/c2*1-17-18(7-8-23-21(17)16-31-32-23)12-20(33(3)4)15-30-24(34)13-22(19-6-5-11-29-14-19)26(9-10-26)25(2,27)28;2*1-17-18(7-8-23-21(17)16-28-29-23)12-20(30(3)4)15-27-24(31)13-22(25(2)9-10-25)19-6-5-11-26-14-19;2*1-23(25,26)24(7-8-24)20(17-4-3-9-28-13-17)12-22(32)29-15-19(27-2)11-16-5-6-21-18(10-16)14-30-31-21;2*1-22(24,25)23(6-7-23)19(16-3-2-8-27-12-16)11-21(31)28-14-18(26)10-15-4-5-20-17(9-15)13-29-30-20/h2*5-8,11,14,16,20,22H,9-10,12-13,15H2,1-4H3,(H,30,34)(H,31,32);2*5-8,11,14,16,20,22H,9-10,12-13,15H2,1-4H3,(H,27,31)(H,28,29);2*3-6,9-10,13-14,19-20,27H,7-8,11-12,15H2,1-2H3,(H,29,32)(H,30,31);2*2-5,8-9,12-13,18-19H,6-7,10-11,14,26H2,1H3,(H,28,31)(H,29,30)/t20-,22+;20-,22-;20-,22+;20-,22-;19-,20+;19-,20-;18-,19+;18-,19-/m00000000/s1
InChIKeyDWOVGRDLFYOZJM-COJJQXCASA-N
MW3516.36 g/mol
LogP31.32
Rot. Bonds76

About (3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide

(3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide (PubChem CID 167562782) has the molecular formula C196H244F12N40O8 and a molecular weight of 3516.36 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
PubChem CID167562782
Molecular FormulaC196H244F12N40O8
Molecular Weight3516.36 g/mol
Exact Mass3513.97
IUPAC Name(3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
SMILESCC(F)(F)C1([C@@H](CC(=O)NC[C@@H](N)Cc2ccc3[nH]ncc3c2)c2cccnc2)CC1.CC(F)(F)C1([C@H](CC(=O)NC[C@@H](N)Cc2ccc3[nH]ncc3c2)c2cccnc2)CC1.CN[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc2[nH]ncc2c1.CN[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc2[nH]ncc2c1.Cc1c(C[C@@H](CNC(=O)C[C@@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)ccc2[nH]ncc12.Cc1c(C[C@@H](CNC(=O)C[C@@H](c2cccnc2)C2(C)CC2)N(C)C)ccc2[nH]ncc12.Cc1c(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)ccc2[nH]ncc12.Cc1c(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C)CC2)N(C)C)ccc2[nH]ncc12
InChIInChI=1S/2C26H33F2N5O.2C25H33N5O.2C24H29F2N5O.2C23H27F2N5O/c2*1-17-18(7-8-23-21(17)16-31-32-23)12-20(33(3)4)15-30-24(34)13-22(19-6-5-11-29-14-19)26(9-10-26)25(2,27)28;2*1-17-18(7-8-23-21(17)16-28-29-23)12-20(30(3)4)15-27-24(31)13-22(25(2)9-10-25)19-6-5-11-26-14-19;2*1-23(25,26)24(7-8-24)20(17-4-3-9-28-13-17)12-22(32)29-15-19(27-2)11-16-5-6-21-18(10-16)14-30-31-21;2*1-22(24,25)23(6-7-23)19(16-3-2-8-27-12-16)11-21(31)28-14-18(26)10-15-4-5-20-17(9-15)13-29-30-20/h2*5-8,11,14,16,20,22H,9-10,12-13,15H2,1-4H3,(H,30,34)(H,31,32);2*5-8,11,14,16,20,22H,9-10,12-13,15H2,1-4H3,(H,27,31)(H,28,29);2*3-6,9-10,13-14,19-20,27H,7-8,11-12,15H2,1-2H3,(H,29,32)(H,30,31);2*2-5,8-9,12-13,18-19H,6-7,10-11,14,26H2,1H3,(H,28,31)(H,29,30)/t20-,22+;20-,22-;20-,22+;20-,22-;19-,20+;19-,20-;18-,19+;18-,19-/m00000000/s1
InChIKeyDWOVGRDLFYOZJM-COJJQXCASA-N
XLogP31.32
TPSA654.42 Ų
H-Bond Donors20
H-Bond Acceptors32
Rotatable Bonds76
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003516.36
LogP ≤ 531.32
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1032

Analyze (3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of (3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide (CID 167562782) is (3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for (3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for (3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide is CC(F)(F)C1([C@@H](CC(=O)NC[C@@H](N)Cc2ccc3[nH]ncc3c2)c2cccnc2)CC1.CC(F)(F)C1([C@H](CC(=O)NC[C@@H](N)Cc2ccc3[nH]ncc3c2)c2cccnc2)CC1.CN[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc2[nH]ncc2c1.CN[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(C)(F)F)CC1)Cc1ccc2[nH]ncc2c1.Cc1c(C[C@@H](CNC(=O)C[C@@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)ccc2[nH]ncc12.Cc1c(C[C@@H](CNC(=O)C[C@@H](c2cccnc2)C2(C)CC2)N(C)C)ccc2[nH]ncc12.Cc1c(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)ccc2[nH]ncc12.Cc1c(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C)CC2)N(C)C)ccc2[nH]ncc12.
What is the InChIKey of (3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?
The InChIKey is DWOVGRDLFYOZJM-COJJQXCASA-N. The full InChI is InChI=1S/2C26H33F2N5O.2C25H33N5O.2C24H29F2N5O.2C23H27F2N5O/c2*1-17-18(7-8-23-21(17)16-31-32-23)12-20(33(3)4)15-30-24(34)13-22(19-6-5-11-29-14-19)26(9-10-26)25(2,27)28;2*1-17-18(7-8-23-21(17)16-28-29-23)12-20(30(3)4)15-27-24(31)13-22(25(2)9-10-25)19-6-5-11-26-14-19;2*1-23(25,26)24(7-8-24)20(17-4-3-9-28-13-17)12-22(32)29-15-19(27-2)11-16-5-6-21-18(10-16)14-30-31-21;2*1-22(24,25)23(6-7-23)19(16-3-2-8-27-12-16)11-21(31)28-14-18(26)10-15-4-5-20-17(9-15)13-29-30-20/h2*5-8,11,14,16,20,22H,9-10,12-13,15H2,1-4H3,(H,30,34)(H,31,32);2*5-8,11,14,16,20,22H,9-10,12-13,15H2,1-4H3,(H,27,31)(H,28,29);2*3-6,9-10,13-14,19-20,27H,7-8,11-12,15H2,1-2H3,(H,29,32)(H,30,31);2*2-5,8-9,12-13,18-19H,6-7,10-11,14,26H2,1H3,(H,28,31)(H,29,30)/t20-,22+;20-,22-;20-,22+;20-,22-;19-,20+;19-,20-;18-,19+;18-,19-/m00000000/s1.
What are the key properties of (3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?
(3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide has a molecular weight of 3516.36 g/mol, XLogP of 31.32, 76 rotatable bonds, 20 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-amino-3-(1H-indazol-5-yl)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-3-(1H-indazol-5-yl)-2-(methylamino)propyl]-3-pyridin-3-ylpropanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 167562782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).