N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C22H26F6N10O3 — CID 175926360

IUPACN-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@H](C(=O)Nc1cn(C(CC(F)F)c2nnnn2CC(F)(F)F)nc1F)C1CCC(C)CC1
InChIInChI=1S/C22H26F6N10O3/c1-10-3-5-12(6-4-10)17(30-20(39)16-11(2)33-41-34-16)21(40)29-13-8-37(32-18(13)25)14(7-15(23)24)19-31-35-36-38(19)9-22(26,27)28/h8,10,12,14-15,17H,3-7,9H2,1-2H3,(H,29,40)(H,30,39)/t10?,12?,14?,17-/m0/s1
InChIKeyVLGCKNXQJYXQJO-JQJNJVKFSA-N
MW592.51 g/mol
LogP3.07
Rot. Bonds10

About N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 175926360) has the molecular formula C22H26F6N10O3 and a molecular weight of 592.51 g/mol. Its IUPAC name is N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID175926360
Molecular FormulaC22H26F6N10O3
Molecular Weight592.51 g/mol
Exact Mass592.21
IUPAC NameN-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@H](C(=O)Nc1cn(C(CC(F)F)c2nnnn2CC(F)(F)F)nc1F)C1CCC(C)CC1
InChIInChI=1S/C22H26F6N10O3/c1-10-3-5-12(6-4-10)17(30-20(39)16-11(2)33-41-34-16)21(40)29-13-8-37(32-18(13)25)14(7-15(23)24)19-31-35-36-38(19)9-22(26,27)28/h8,10,12,14-15,17H,3-7,9H2,1-2H3,(H,29,40)(H,30,39)/t10?,12?,14?,17-/m0/s1
InChIKeyVLGCKNXQJYXQJO-JQJNJVKFSA-N
XLogP3.07
TPSA158.54 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.51
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

N-[(1S)-2-[[3-fluoro-1-[1-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]propyl]pyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 175926332
N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[[3-fluoro-1-[2-methoxy-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 175926325
N-[(1S)-2-[[1-[(1S)-3,3-difluoro-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 175926315
N-[(2S)-1,1-dicyclopropyl-3-[[1-[(1S)-3,3-difluoro-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]propyl]-3-fluoropyrazol-4-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 169172686
N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 168936231
N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[1-(6-oxo-3-triethylsilyl-1H-pyridazin-5-yl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 168936048
N-[(2S)-1-[[1-[(1S)-1-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-3,3-difluoropropyl]-3-fluoropyrazol-4-yl]amino]-1-oxo-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 175926329
N-[(2S)-1-[[1-[3-cyano-1-[3-(2,2,2-trifluoroethyl)triazol-4-yl]propyl]-3-fluoropyrazol-4-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 175926334
N-[2,2-dicyclopropyl-1-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]imidazo[1,2-b]pyridazin-2-yl]ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 164525042
1-[(Z)-1-amino-2-[amino(2,2,2-trifluoroethyl)amino]pent-1-en-3-yl]-3-fluoro-N-methylpyrazol-4-amine;N-(1,1-dicyclopropyl-3-oxopropan-2-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide;fluoromethanol
CID 169172674
N-[(2S)-1,1-dicyclopropyl-3-[[3-fluoro-1-[(1S)-1-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]pyrazol-4-yl]amino]-3-oxopropan-2-yl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 168935844
4-cyclopropyl-N-[(1S)-2-[[4-[2-hydroxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1,2,5-oxadiazole-3-carboxamide
CID 171790666

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 175926360) is N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@H](C(=O)Nc1cn(C(CC(F)F)c2nnnn2CC(F)(F)F)nc1F)C1CCC(C)CC1.
What is the InChIKey of N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is VLGCKNXQJYXQJO-JQJNJVKFSA-N. The full InChI is InChI=1S/C22H26F6N10O3/c1-10-3-5-12(6-4-10)17(30-20(39)16-11(2)33-41-34-16)21(40)29-13-8-37(32-18(13)25)14(7-15(23)24)19-31-35-36-38(19)9-22(26,27)28/h8,10,12,14-15,17H,3-7,9H2,1-2H3,(H,29,40)(H,30,39)/t10?,12?,14?,17-/m0/s1.
What are the key properties of N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 592.51 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[[1-[3,3-difluoro-1-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]propyl]-3-fluoropyrazol-4-yl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 175926360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).