N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C28H34F4N6O3 — CID 176896869

About N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 176896869) has the molecular formula C28H34F4N6O3 and a molecular weight of 578.61 g/mol. Its IUPAC name is N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 176896869
• Molecular Formula: C28H34F4N6O3
• Molecular Weight: 578.61 g/mol
• Exact Mass: 578.26
• IUPAC Name: N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: CC(C)n1nccc1C(=O)NC(C(=O)Nc1ccc([C@H](C)N2C[C@@H](C(F)(F)F)NC2=O)cc1F)C(C1CC1)C1CC1
• InChI: InChI=1S/C28H34F4N6O3/c1-14(2)38-21(10-11-33-38)25(39)36-24(23(16-4-5-16)17-6-7-17)26(40)34-20-9-8-18(12-19(20)29)15(3)37-13-22(28(30,31)32)35-27(37)41/h8-12,14-17,22-24H,4-7,13H2,1-3H3,(H,34,40)(H,35,41)(H,36,39)/t15-,22-,24?/m0/s1
• InChIKey: DWFVNJGBGMSIDI-UGSMRSPNSA-N
• XLogP: 4.79
• TPSA: 108.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.61
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 176896869) is N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)NC(C(=O)Nc1ccc([C@H](C)N2C[C@@H](C(F)(F)F)NC2=O)cc1F)C(C1CC1)C1CC1.

What is the InChIKey of N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is DWFVNJGBGMSIDI-UGSMRSPNSA-N. The full InChI is InChI=1S/C28H34F4N6O3/c1-14(2)38-21(10-11-33-38)25(39)36-24(23(16-4-5-16)17-6-7-17)26(40)34-20-9-8-18(12-19(20)29)15(3)37-13-22(28(30,31)32)35-27(37)41/h8-12,14-17,22-24H,4-7,13H2,1-3H3,(H,34,40)(H,35,41)(H,36,39)/t15-,22-,24?/m0/s1.

What are the key properties of N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 578.61 g/mol, XLogP of 4.79, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1,1-dicyclopropyl-3-[2-fluoro-4-[(1S)-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 176896869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).