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

C48H58F6N10O5 — CID 167657173

IUPAC5-[(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
SMILESCN(C)[C@H](CN)Cc1ccc2c(c1)CC(=O)N2.CN(C)[C@H](CNC(=O)CC(c1ncccn1)C1(C(F)(F)F)CC1)Cc1ccc2c(c1)CC(=O)N2.O=C(O)CC(c1ncccn1)C1(C(F)(F)F)CC1
InChIInChI=1S/C24H28F3N5O2.C13H19N3O.C11H11F3N2O2/c1-32(2)17(11-15-4-5-19-16(10-15)12-21(34)31-19)14-30-20(33)13-18(22-28-8-3-9-29-22)23(6-7-23)24(25,26)27;1-16(2)11(8-14)6-9-3-4-12-10(5-9)7-13(17)15-12;12-11(13,14)10(2-3-10)7(6-8(17)18)9-15-4-1-5-16-9/h3-5,8-10,17-18H,6-7,11-14H2,1-2H3,(H,30,33)(H,31,34);3-5,11H,6-8,14H2,1-2H3,(H,15,17);1,4-5,7H,2-3,6H2,(H,17,18)/t17-,18?;11-;/m00./s1
InChIKeyRKRCDPQJPBWRKF-FGFZCAOCSA-N
MW969.04 g/mol
LogP6.07
Rot. Bonds17

About 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

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 (PubChem CID 167657173) has the molecular formula C48H58F6N10O5 and a molecular weight of 969.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID167657173
Molecular FormulaC48H58F6N10O5
Molecular Weight969.04 g/mol
Exact Mass968.45
IUPAC Name5-[(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
SMILESCN(C)[C@H](CN)Cc1ccc2c(c1)CC(=O)N2.CN(C)[C@H](CNC(=O)CC(c1ncccn1)C1(C(F)(F)F)CC1)Cc1ccc2c(c1)CC(=O)N2.O=C(O)CC(c1ncccn1)C1(C(F)(F)F)CC1
InChIInChI=1S/C24H28F3N5O2.C13H19N3O.C11H11F3N2O2/c1-32(2)17(11-15-4-5-19-16(10-15)12-21(34)31-19)14-30-20(33)13-18(22-28-8-3-9-29-22)23(6-7-23)24(25,26)27;1-16(2)11(8-14)6-9-3-4-12-10(5-9)7-13(17)15-12;12-11(13,14)10(2-3-10)7(6-8(17)18)9-15-4-1-5-16-9/h3-5,8-10,17-18H,6-7,11-14H2,1-2H3,(H,30,33)(H,31,34);3-5,11H,6-8,14H2,1-2H3,(H,15,17);1,4-5,7H,2-3,6H2,(H,17,18)/t17-,18?;11-;/m00./s1
InChIKeyRKRCDPQJPBWRKF-FGFZCAOCSA-N
XLogP6.07
TPSA208.66 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.04
LogP ≤ 56.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

N-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-pyrimidin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 175526140
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
(3R)-3-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]-3-phenylpropanamide
CID 165405553
(3R)-N-[(2S)-2-(dimethylamino)-3-(3-fluoro-4-propanoylphenyl)propyl]-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 167631600
(3S)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025401
N-[2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 174189229
(3R)-N-[(2S)-2-(dimethylamino)-3-(1H-indazol-5-yl)propyl]-3-(2-methyl-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 165405592
4-[2-(dimethylamino)-3-[[3-phenyl-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 175526182
4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluorobenzamide
CID 166025519
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
N-[2-(dimethylamino)-3-(2-oxo-1H-quinolin-6-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 175526116
3-(5-chloropyrimidin-2-yl)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propyl]-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 165405415

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)[C@H](CN)Cc1ccc2c(c1)CC(=O)N2.CN(C)[C@H](CNC(=O)CC(c1ncccn1)C1(C(F)(F)F)CC1)Cc1ccc2c(c1)CC(=O)N2.O=C(O)CC(c1ncccn1)C1(C(F)(F)F)CC1.
What is the InChIKey of 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?
The InChIKey is RKRCDPQJPBWRKF-FGFZCAOCSA-N. The full InChI is InChI=1S/C24H28F3N5O2.C13H19N3O.C11H11F3N2O2/c1-32(2)17(11-15-4-5-19-16(10-15)12-21(34)31-19)14-30-20(33)13-18(22-28-8-3-9-29-22)23(6-7-23)24(25,26)27;1-16(2)11(8-14)6-9-3-4-12-10(5-9)7-13(17)15-12;12-11(13,14)10(2-3-10)7(6-8(17)18)9-15-4-1-5-16-9/h3-5,8-10,17-18H,6-7,11-14H2,1-2H3,(H,30,33)(H,31,34);3-5,11H,6-8,14H2,1-2H3,(H,15,17);1,4-5,7H,2-3,6H2,(H,17,18)/t17-,18?;11-;/m00./s1.
What are the key properties of 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?
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 has a molecular weight of 969.04 g/mol, XLogP of 6.07, 17 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167657173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).