N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C32H41F3N6O5 — CID 177368662

About N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-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)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 177368662) has the molecular formula C32H41F3N6O5 and a molecular weight of 646.71 g/mol. Its IUPAC name is N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-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)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 177368662
• Molecular Formula: C32H41F3N6O5
• Molecular Weight: 646.71 g/mol
• Exact Mass: 646.31
• IUPAC Name: N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-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)Nc1ccc2c(c1)CC[C@H]2N(C)C(=O)C(NC(=O)[C@@H](C)O)C(F)(F)F)C(C1CC1)C1CC1
• InChI: InChI=1S/C32H41F3N6O5/c1-16(2)41-24(13-14-36-41)29(44)38-26(25(18-5-6-18)19-7-8-19)30(45)37-21-10-11-22-20(15-21)9-12-23(22)40(4)31(46)27(32(33,34)35)39-28(43)17(3)42/h10-11,13-19,23,25-27,42H,5-9,12H2,1-4H3,(H,37,45)(H,38,44)(H,39,43)/t17-,23-,26+,27?/m1/s1
• InChIKey: IBSCQVLLJASGTC-WFXZOTMKSA-N
• XLogP: 3.51
• TPSA: 145.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	646.71
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-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)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 177368662) is N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-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)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-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)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-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)Nc1ccc2c(c1)CC[C@H]2N(C)C(=O)C(NC(=O)[C@@H](C)O)C(F)(F)F)C(C1CC1)C1CC1.

What is the InChIKey of N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is IBSCQVLLJASGTC-WFXZOTMKSA-N. The full InChI is InChI=1S/C32H41F3N6O5/c1-16(2)41-24(13-14-36-41)29(44)38-26(25(18-5-6-18)19-7-8-19)30(45)37-21-10-11-22-20(15-21)9-12-23(22)40(4)31(46)27(32(33,34)35)39-28(43)17(3)42/h10-11,13-19,23,25-27,42H,5-9,12H2,1-4H3,(H,37,45)(H,38,44)(H,39,43)/t17-,23-,26+,27?/m1/s1.

What are the key properties of N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-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)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 646.71 g/mol, XLogP of 3.51, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1,1-dicyclopropyl-3-[[(1R)-1-[methyl-[3,3,3-trifluoro-2-[[(2R)-2-hydroxypropanoyl]amino]propanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 177368662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).