N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C36H38F6N12O6 — CID 167681447

IUPACN-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCO[C@@H](C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1.CO[C@H](C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1
InChIInChI=1S/2C18H19F3N6O3/c2*1-9(23-16(28)13-8-14(18(19,20)21)25-27(13)3)17-24-15(26-30-17)11-5-6-22-12(7-11)10(2)29-4/h2*5-10H,1-4H3,(H,23,28)/t9-,10+;9-,10-/m00/s1
InChIKeyVPGLOYLAIFDXHE-JDLGFOKNSA-N
MW848.77 g/mol
LogP6.16
Rot. Bonds12

About N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 167681447) has the molecular formula C36H38F6N12O6 and a molecular weight of 848.77 g/mol. Its IUPAC name is N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID167681447
Molecular FormulaC36H38F6N12O6
Molecular Weight848.77 g/mol
Exact Mass848.29
IUPAC NameN-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCO[C@@H](C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1.CO[C@H](C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1
InChIInChI=1S/2C18H19F3N6O3/c2*1-9(23-16(28)13-8-14(18(19,20)21)25-27(13)3)17-24-15(26-30-17)11-5-6-22-12(7-11)10(2)29-4/h2*5-10H,1-4H3,(H,23,28)/t9-,10+;9-,10-/m00/s1
InChIKeyVPGLOYLAIFDXHE-JDLGFOKNSA-N
XLogP6.16
TPSA215.92 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500848.77
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271856
N-[(1S)-1-[3-[2-(methoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272360
N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162658059
N-[(1S)-1-[3-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272392
US20230285377, Example 43
CID 166761005
US20230285377, Example 42
CID 166761036
2-methoxy-N-[[5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-yl]methyl]ethanamine
CID 46202421
N-[2-(4-hydroxypiperidin-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridine-2-carboxamide
CID 46202422
5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
CID 46202750
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine
CID 46206980
N-[(1-ethylpyrazol-4-yl)methyl]-4-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine
CID 46212612
N-[2-(5-methylpyrazol-1-yl)ethyl]-5-[[5-methyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]pyridin-2-amine
CID 58538546

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 167681447) is N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CO[C@@H](C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1.CO[C@H](C)c1cc(-c2noc([C@H](C)NC(=O)c3cc(C(F)(F)F)nn3C)n2)ccn1.
What is the InChIKey of N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is VPGLOYLAIFDXHE-JDLGFOKNSA-N. The full InChI is InChI=1S/2C18H19F3N6O3/c2*1-9(23-16(28)13-8-14(18(19,20)21)25-27(13)3)17-24-15(26-30-17)11-5-6-22-12(7-11)10(2)29-4/h2*5-10H,1-4H3,(H,23,28)/t9-,10+;9-,10-/m00/s1.
What are the key properties of N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 848.77 g/mol, XLogP of 6.16, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[2-[(1S)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-[(1R)-1-methoxyethyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 167681447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).