4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide

C21H23F6N7O5 — CID 171791002

IUPAC4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@@H](COC(C)(C)C(F)(F)F)C(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)ccn1
InChIInChI=1S/C21H23F6N7O5/c1-10-15(33-39-32-10)17(36)29-12(9-38-19(2,3)21(25,26)27)16(35)31-14-6-11(4-5-28-14)7-34-8-13(20(22,23)24)30-18(34)37/h4-6,12-13H,7-9H2,1-3H3,(H,29,36)(H,30,37)(H,28,31,35)/t12-,13-/m0/s1
InChIKeyUBRIXGQBVRSHMA-STQMWFEESA-N
MW567.45 g/mol
LogP2.32
Rot. Bonds9

About 4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 171791002) has the molecular formula C21H23F6N7O5 and a molecular weight of 567.45 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID171791002
Molecular FormulaC21H23F6N7O5
Molecular Weight567.45 g/mol
Exact Mass567.17
IUPAC Name4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@@H](COC(C)(C)C(F)(F)F)C(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)ccn1
InChIInChI=1S/C21H23F6N7O5/c1-10-15(33-39-32-10)17(36)29-12(9-38-19(2,3)21(25,26)27)16(35)31-14-6-11(4-5-28-14)7-34-8-13(20(22,23)24)30-18(34)37/h4-6,12-13H,7-9H2,1-3H3,(H,29,36)(H,30,37)(H,28,31,35)/t12-,13-/m0/s1
InChIKeyUBRIXGQBVRSHMA-STQMWFEESA-N
XLogP2.32
TPSA151.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.45
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide (CID 171791002) is 4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@@H](COC(C)(C)C(F)(F)F)C(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)ccn1.
What is the InChIKey of 4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is UBRIXGQBVRSHMA-STQMWFEESA-N. The full InChI is InChI=1S/C21H23F6N7O5/c1-10-15(33-39-32-10)17(36)29-12(9-38-19(2,3)21(25,26)27)16(35)31-14-6-11(4-5-28-14)7-34-8-13(20(22,23)24)30-18(34)37/h4-6,12-13H,7-9H2,1-3H3,(H,29,36)(H,30,37)(H,28,31,35)/t12-,13-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 567.45 g/mol, XLogP of 2.32, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 171791002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).