3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

C22H21F2N9O2 — CID 150066188

IUPAC3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1c(CNC(=O)c2nc(C3(CF)CC3)no2)ccc(-c2ncnc(Nc3cnn(C)c3)n2)c1F
InChIInChI=1S/C22H21F2N9O2/c1-12-13(7-25-18(34)19-31-20(32-35-19)22(10-23)5-6-22)3-4-15(16(12)24)17-26-11-27-21(30-17)29-14-8-28-33(2)9-14/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,25,34)(H,26,27,29,30)
InChIKeyDOIGKMBRZYNUMX-UHFFFAOYSA-N
MW481.47 g/mol
LogP2.78
Rot. Bonds8

About 3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 150066188) has the molecular formula C22H21F2N9O2 and a molecular weight of 481.47 g/mol. Its IUPAC name is 3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID150066188
Molecular FormulaC22H21F2N9O2
Molecular Weight481.47 g/mol
Exact Mass481.18
IUPAC Name3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1c(CNC(=O)c2nc(C3(CF)CC3)no2)ccc(-c2ncnc(Nc3cnn(C)c3)n2)c1F
InChIInChI=1S/C22H21F2N9O2/c1-12-13(7-25-18(34)19-31-20(32-35-19)22(10-23)5-6-22)3-4-15(16(12)24)17-26-11-27-21(30-17)29-14-8-28-33(2)9-14/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,25,34)(H,26,27,29,30)
InChIKeyDOIGKMBRZYNUMX-UHFFFAOYSA-N
XLogP2.78
TPSA136.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 150066188) is 3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is Cc1c(CNC(=O)c2nc(C3(CF)CC3)no2)ccc(-c2ncnc(Nc3cnn(C)c3)n2)c1F.
What is the InChIKey of 3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DOIGKMBRZYNUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N9O2/c1-12-13(7-25-18(34)19-31-20(32-35-19)22(10-23)5-6-22)3-4-15(16(12)24)17-26-11-27-21(30-17)29-14-8-28-33(2)9-14/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,25,34)(H,26,27,29,30).
What are the key properties of 3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 481.47 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(fluoromethyl)cyclopropyl]-N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-4-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 150066188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).