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

C24H30F4N8O3 — CID 175926332

IUPACN-[(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
SMILESCCC(c1cn[nH]c1CC(F)(F)F)n1cc(NC(=O)[C@@H](NC(=O)c2nonc2C)C2CCC(C)CC2)c(F)n1
InChIInChI=1S/C24H30F4N8O3/c1-4-18(15-10-29-32-16(15)9-24(26,27)28)36-11-17(21(25)33-36)30-23(38)20(14-7-5-12(2)6-8-14)31-22(37)19-13(3)34-39-35-19/h10-12,14,18,20H,4-9H2,1-3H3,(H,29,32)(H,30,38)(H,31,37)/t12?,14?,18?,20-/m0/s1
InChIKeyNIUMNHYIYIEMPI-IKJVWJKQSA-N
MW554.55 g/mol
LogP4.10
Rot. Bonds9

About 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

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 (PubChem CID 175926332) has the molecular formula C24H30F4N8O3 and a molecular weight of 554.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID175926332
Molecular FormulaC24H30F4N8O3
Molecular Weight554.55 g/mol
Exact Mass554.24
IUPAC NameN-[(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
SMILESCCC(c1cn[nH]c1CC(F)(F)F)n1cc(NC(=O)[C@@H](NC(=O)c2nonc2C)C2CCC(C)CC2)c(F)n1
InChIInChI=1S/C24H30F4N8O3/c1-4-18(15-10-29-32-16(15)9-24(26,27)28)36-11-17(21(25)33-36)30-23(38)20(14-7-5-12(2)6-8-14)31-22(37)19-13(3)34-39-35-19/h10-12,14,18,20H,4-9H2,1-3H3,(H,29,32)(H,30,38)(H,31,37)/t12?,14?,18?,20-/m0/s1
InChIKeyNIUMNHYIYIEMPI-IKJVWJKQSA-N
XLogP4.10
TPSA143.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.55
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-[(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-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-[(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
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
(2S)-2-amino-N-[1-[(1S)-1-(3-chloro-6-oxo-1H-pyridazin-5-yl)ethyl]-3-fluoropyrazol-4-yl]-2-(4-methylcyclohexyl)acetamide
CID 168935590
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
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
methyl (Z)-4-chloro-2-[(1S)-1-[3-fluoro-4-[[2-(4-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyrazol-1-yl]ethyl]-4-iminobut-2-enimidate
CID 168936218
N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2,4,4,4-tetrafluorobutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 167245202

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(c1cn[nH]c1CC(F)(F)F)n1cc(NC(=O)[C@@H](NC(=O)c2nonc2C)C2CCC(C)CC2)c(F)n1.
What is the InChIKey of 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?
The InChIKey is NIUMNHYIYIEMPI-IKJVWJKQSA-N. The full InChI is InChI=1S/C24H30F4N8O3/c1-4-18(15-10-29-32-16(15)9-24(26,27)28)36-11-17(21(25)33-36)30-23(38)20(14-7-5-12(2)6-8-14)31-22(37)19-13(3)34-39-35-19/h10-12,14,18,20H,4-9H2,1-3H3,(H,29,32)(H,30,38)(H,31,37)/t12?,14?,18?,20-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 554.55 g/mol, XLogP of 4.10, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175926332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).