N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

C86H98F9N15O8S2 — CID 167569329

IUPACN-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESCN(C)[C@H](CNC(=O)CC(c1ccncc1)C1(C(F)(F)F)CC1)Cc1ccc2[nH]ncc2c1.Cc1ccc(S(=O)(=O)n2ncc3cc(C[C@@H](CN)N(C)C)ccc32)cc1.Cc1ccc(S(=O)(=O)n2ncc3cc(C[C@@H](CNC(=O)CC(c4ccncc4)C4(C(F)(F)F)CC4)N(C)C)ccc32)cc1.O=C(O)CC(c1ccncc1)C1(C(F)(F)F)CC1
InChIInChI=1S/C31H34F3N5O3S.C24H28F3N5O.C19H24N4O2S.C12H12F3NO2/c1-21-4-7-26(8-5-21)43(41,42)39-28-9-6-22(16-24(28)19-37-39)17-25(38(2)3)20-36-29(40)18-27(23-10-14-35-15-11-23)30(12-13-30)31(32,33)34;1-32(2)19(12-16-3-4-21-18(11-16)14-30-31-21)15-29-22(33)13-20(17-5-9-28-10-6-17)23(7-8-23)24(25,26)27;1-14-4-7-18(8-5-14)26(24,25)23-19-9-6-15(10-16(19)13-21-23)11-17(12-20)22(2)3;13-12(14,15)11(3-4-11)9(7-10(17)18)8-1-5-16-6-2-8/h4-11,14-16,19,25,27H,12-13,17-18,20H2,1-3H3,(H,36,40);3-6,9-11,14,19-20H,7-8,12-13,15H2,1-2H3,(H,29,33)(H,30,31);4-10,13,17H,11-12,20H2,1-3H3;1-2,5-6,9H,3-4,7H2,(H,17,18)/t25-,27?;19-,20?;17-;/m000./s1
InChIKeyFRTFBKHGFZYEPN-UVXGSIFKSA-N
MW1704.94 g/mol
LogP14.14
Rot. Bonds30

About N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (PubChem CID 167569329) has the molecular formula C86H98F9N15O8S2 and a molecular weight of 1704.94 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
PubChem CID167569329
Molecular FormulaC86H98F9N15O8S2
Molecular Weight1704.94 g/mol
Exact Mass1703.70
IUPAC NameN-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESCN(C)[C@H](CNC(=O)CC(c1ccncc1)C1(C(F)(F)F)CC1)Cc1ccc2[nH]ncc2c1.Cc1ccc(S(=O)(=O)n2ncc3cc(C[C@@H](CN)N(C)C)ccc32)cc1.Cc1ccc(S(=O)(=O)n2ncc3cc(C[C@@H](CNC(=O)CC(c4ccncc4)C4(C(F)(F)F)CC4)N(C)C)ccc32)cc1.O=C(O)CC(c1ccncc1)C1(C(F)(F)F)CC1
InChIInChI=1S/C31H34F3N5O3S.C24H28F3N5O.C19H24N4O2S.C12H12F3NO2/c1-21-4-7-26(8-5-21)43(41,42)39-28-9-6-22(16-24(28)19-37-39)17-25(38(2)3)20-36-29(40)18-27(23-10-14-35-15-11-23)30(12-13-30)31(32,33)34;1-32(2)19(12-16-3-4-21-18(11-16)14-30-31-21)15-29-22(33)13-20(17-5-9-28-10-6-17)23(7-8-23)24(25,26)27;1-14-4-7-18(8-5-14)26(24,25)23-19-9-6-15(10-16(19)13-21-23)11-17(12-20)22(2)3;13-12(14,15)11(3-4-11)9(7-10(17)18)8-1-5-16-6-2-8/h4-11,14-16,19,25,27H,12-13,17-18,20H2,1-3H3,(H,36,40);3-6,9-11,14,19-20H,7-8,12-13,15H2,1-2H3,(H,29,33)(H,30,31);4-10,13,17H,11-12,20H2,1-3H3;1-2,5-6,9H,3-4,7H2,(H,17,18)/t25-,27?;19-,20?;17-;/m000./s1
InChIKeyFRTFBKHGFZYEPN-UVXGSIFKSA-N
XLogP14.14
TPSA302.51 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001704.94
LogP ≤ 514.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid 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

(3S)-N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025397
(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylbutanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-phenylbutanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;(3R)-3-phenylbutanoic acid
CID 167595555
3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-ylpropanamide
CID 167562244
(3R)-N-[(2S)-3-[4-chloro-1-(4-methylphenyl)sulfonylindazol-5-yl]-2-(dimethylamino)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025526
(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 165405592
N-[2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 174189229
(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)propanamide
CID 167572201
4-[(2S)-3-amino-2-(dimethylamino)propyl]phenol;N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 167573804
(3S)-N-[(2S)-2-(dimethylamino)-3-(4-methyl-1H-indazol-5-yl)propyl]-3-phenylbutanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-[4-methyl-1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-phenylbutanamide;(2S)-2-N,2-N-dimethyl-3-[4-methyl-1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;(3S)-3-phenylbutanoic acid
CID 167706805
(3S)-N-[(2S)-3-(6-chloro-1H-indazol-5-yl)-2-(dimethylamino)propyl]-3-[1-(1,1-difluoroethyl)cyclopropyl]-3-pyridin-4-ylpropanamide
CID 167572361
(3S)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide;(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-ylpropanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-4-methyl-3-pyridin-3-ylpentanamide
CID 167562242
5-[(2S)-3-amino-2-(dimethylamino)propyl]-1,3-dihydroindol-2-one;N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-pyrimidin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;3-pyrimidin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 167657173

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The IUPAC name of N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (CID 167569329) is N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is CN(C)[C@H](CNC(=O)CC(c1ccncc1)C1(C(F)(F)F)CC1)Cc1ccc2[nH]ncc2c1.Cc1ccc(S(=O)(=O)n2ncc3cc(C[C@@H](CN)N(C)C)ccc32)cc1.Cc1ccc(S(=O)(=O)n2ncc3cc(C[C@@H](CNC(=O)CC(c4ccncc4)C4(C(F)(F)F)CC4)N(C)C)ccc32)cc1.O=C(O)CC(c1ccncc1)C1(C(F)(F)F)CC1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The InChIKey is FRTFBKHGFZYEPN-UVXGSIFKSA-N. The full InChI is InChI=1S/C31H34F3N5O3S.C24H28F3N5O.C19H24N4O2S.C12H12F3NO2/c1-21-4-7-26(8-5-21)43(41,42)39-28-9-6-22(16-24(28)19-37-39)17-25(38(2)3)20-36-29(40)18-27(23-10-14-35-15-11-23)30(12-13-30)31(32,33)34;1-32(2)19(12-16-3-4-21-18(11-16)14-30-31-21)15-29-22(33)13-20(17-5-9-28-10-6-17)23(7-8-23)24(25,26)27;1-14-4-7-18(8-5-14)26(24,25)23-19-9-6-15(10-16(19)13-21-23)11-17(12-20)22(2)3;13-12(14,15)11(3-4-11)9(7-10(17)18)8-1-5-16-6-2-8/h4-11,14-16,19,25,27H,12-13,17-18,20H2,1-3H3,(H,36,40);3-6,9-11,14,19-20H,7-8,12-13,15H2,1-2H3,(H,29,33)(H,30,31);4-10,13,17H,11-12,20H2,1-3H3;1-2,5-6,9H,3-4,7H2,(H,17,18)/t25-,27?;19-,20?;17-;/m000./s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid has a molecular weight of 1704.94 g/mol, XLogP of 14.14, 30 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;N-[(2S)-2-(dimethylamino)-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propyl]-3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide;(2S)-2-N,2-N-dimethyl-3-[1-(4-methylphenyl)sulfonylindazol-5-yl]propane-1,2-diamine;3-pyridin-4-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is sourced from PubChem (CID 167569329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).