N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C29H34F4N6O3 — CID 177368829

About N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 177368829) has the molecular formula C29H34F4N6O3 and a molecular weight of 590.62 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 177368829
• Molecular Formula: C29H34F4N6O3
• Molecular Weight: 590.62 g/mol
• Exact Mass: 590.26
• IUPAC Name: N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: CC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1cc2c(cc1F)[C@H](N1C[C@@H](C(F)(F)F)NC1=O)CC2)C(C1CC1)C1CC1
• InChI: InChI=1S/C29H34F4N6O3/c1-14(2)39-22(9-10-34-39)26(40)37-25(24(15-3-4-15)16-5-6-16)27(41)35-20-11-17-7-8-21(18(17)12-19(20)30)38-13-23(29(31,32)33)36-28(38)42/h9-12,14-16,21,23-25H,3-8,13H2,1-2H3,(H,35,41)(H,36,42)(H,37,40)/t21-,23+,25+/m1/s1
• InChIKey: YJVBRDSLROMLQW-VTZPFEBOSA-N
• XLogP: 4.72
• TPSA: 108.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.62
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 177368829) is N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1cc2c(cc1F)[C@H](N1C[C@@H](C(F)(F)F)NC1=O)CC2)C(C1CC1)C1CC1.

What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is YJVBRDSLROMLQW-VTZPFEBOSA-N. The full InChI is InChI=1S/C29H34F4N6O3/c1-14(2)39-22(9-10-34-39)26(40)37-25(24(15-3-4-15)16-5-6-16)27(41)35-20-11-17-7-8-21(18(17)12-19(20)30)38-13-23(29(31,32)33)36-28(38)42/h9-12,14-16,21,23-25H,3-8,13H2,1-2H3,(H,35,41)(H,36,42)(H,37,40)/t21-,23+,25+/m1/s1.

What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 590.62 g/mol, XLogP of 4.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-6-fluoro-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 177368829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).