N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide

C27H38F3N7O4 — CID 171790493

About N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide

N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 171790493) has the molecular formula C27H38F3N7O4 and a molecular weight of 581.64 g/mol. Its IUPAC name is N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide
• PubChem CID: 171790493
• Molecular Formula: C27H38F3N7O4
• Molecular Weight: 581.64 g/mol
• Exact Mass: 581.29
• IUPAC Name: N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide
• SMILES: CCC[C@H](C)CCC[C@H](NC(=O)c1ccnn1C)C(=O)Nc1cc(C(COC)N2C[C@@H](C(F)(F)F)NC2=O)ccn1
• InChI: InChI=1S/C27H38F3N7O4/c1-5-7-17(2)8-6-9-19(33-25(39)20-11-13-32-36(20)3)24(38)35-23-14-18(10-12-31-23)21(16-41-4)37-15-22(27(28,29)30)34-26(37)40/h10-14,17,19,21-22H,5-9,15-16H2,1-4H3,(H,33,39)(H,34,40)(H,31,35,38)/t17-,19-,21?,22-/m0/s1
• InChIKey: HMVRSKRSRASKHT-OFQXOLIOSA-N
• XLogP: 3.80
• TPSA: 130.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.64
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide (CID 171790493) is N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide is CCC[C@H](C)CCC[C@H](NC(=O)c1ccnn1C)C(=O)Nc1cc(C(COC)N2C[C@@H](C(F)(F)F)NC2=O)ccn1.

What is the InChIKey of N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide?

The InChIKey is HMVRSKRSRASKHT-OFQXOLIOSA-N. The full InChI is InChI=1S/C27H38F3N7O4/c1-5-7-17(2)8-6-9-19(33-25(39)20-11-13-32-36(20)3)24(38)35-23-14-18(10-12-31-23)21(16-41-4)37-15-22(27(28,29)30)34-26(37)40/h10-14,17,19,21-22H,5-9,15-16H2,1-4H3,(H,33,39)(H,34,40)(H,31,35,38)/t17-,19-,21?,22-/m0/s1.

What are the key properties of N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide?

N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 581.64 g/mol, XLogP of 3.80, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,6S)-1-[[4-[2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-6-methyl-1-oxononan-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 171790493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).