(3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide

C24H27F4N5O — CID 166025285

About (3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide

(3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide (PubChem CID 166025285) has the molecular formula C24H27F4N5O and a molecular weight of 477.51 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide.

Molecular Properties

• Compound Name: (3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
• PubChem CID: 166025285
• Molecular Formula: C24H27F4N5O
• Molecular Weight: 477.51 g/mol
• Exact Mass: 477.22
• IUPAC Name: (3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide
• SMILES: CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(F)(F)F)CC1)Cc1cc(F)c2[nH]ncc2c1
• InChI: InChI=1S/C24H27F4N5O/c1-33(2)18(9-15-8-17-13-31-32-22(17)20(25)10-15)14-30-21(34)11-19(16-4-3-7-29-12-16)23(5-6-23)24(26,27)28/h3-4,7-8,10,12-13,18-19H,5-6,9,11,14H2,1-2H3,(H,30,34)(H,31,32)/t18-,19+/m0/s1
• InChIKey: BLUVYEIZJXPJMG-RBUKOAKNSA-N
• XLogP: 4.20
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.51
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?

The IUPAC name of (3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide (CID 166025285) is (3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide.

What is the SMILES notation for (3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?

The canonical SMILES for (3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide is CN(C)[C@H](CNC(=O)C[C@H](c1cccnc1)C1(C(F)(F)F)CC1)Cc1cc(F)c2[nH]ncc2c1.

What is the InChIKey of (3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?

The InChIKey is BLUVYEIZJXPJMG-RBUKOAKNSA-N. The full InChI is InChI=1S/C24H27F4N5O/c1-33(2)18(9-15-8-17-13-31-32-22(17)20(25)10-15)14-30-21(34)11-19(16-4-3-7-29-12-16)23(5-6-23)24(26,27)28/h3-4,7-8,10,12-13,18-19H,5-6,9,11,14H2,1-2H3,(H,30,34)(H,31,32)/t18-,19+/m0/s1.

What are the key properties of (3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide?

(3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide has a molecular weight of 477.51 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2S)-2-(dimethylamino)-3-(7-fluoro-1H-indazol-5-yl)propyl]-3-pyridin-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanamide is sourced from PubChem (CID 166025285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).