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

C22H22FN9O2 — CID 147745673

IUPACN-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCc1c(CNC(=O)c2noc(C3(C)CC3)n2)ccc(-c2ncnc(Nc3ccn(C)n3)n2)c1F
InChIInChI=1S/C22H22FN9O2/c1-12-13(10-24-19(33)18-28-20(34-31-18)22(2)7-8-22)4-5-14(16(12)23)17-25-11-26-21(29-17)27-15-6-9-32(3)30-15/h4-6,9,11H,7-8,10H2,1-3H3,(H,24,33)(H,25,26,27,29,30)
InChIKeyHBFHOUNYRDIUQR-UHFFFAOYSA-N
MW463.48 g/mol
LogP2.83
Rot. Bonds7

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

N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 147745673) has the molecular formula C22H22FN9O2 and a molecular weight of 463.48 g/mol. Its IUPAC name is N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID147745673
Molecular FormulaC22H22FN9O2
Molecular Weight463.48 g/mol
Exact Mass463.19
IUPAC NameN-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCc1c(CNC(=O)c2noc(C3(C)CC3)n2)ccc(-c2ncnc(Nc3ccn(C)n3)n2)c1F
InChIInChI=1S/C22H22FN9O2/c1-12-13(10-24-19(33)18-28-20(34-31-18)22(2)7-8-22)4-5-14(16(12)23)17-25-11-26-21(29-17)27-15-6-9-32(3)30-15/h4-6,9,11H,7-8,10H2,1-3H3,(H,24,33)(H,25,26,27,29,30)
InChIKeyHBFHOUNYRDIUQR-UHFFFAOYSA-N
XLogP2.83
TPSA136.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide (CID 147745673) is N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide is Cc1c(CNC(=O)c2noc(C3(C)CC3)n2)ccc(-c2ncnc(Nc3ccn(C)n3)n2)c1F.
What is the InChIKey of N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is HBFHOUNYRDIUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN9O2/c1-12-13(10-24-19(33)18-28-20(34-31-18)22(2)7-8-22)4-5-14(16(12)23)17-25-11-26-21(29-17)27-15-6-9-32(3)30-15/h4-6,9,11H,7-8,10H2,1-3H3,(H,24,33)(H,25,26,27,29,30).
What are the key properties of N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide?
N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 463.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-methyl-4-[4-[(1-methylpyrazol-3-yl)amino]-1,3,5-triazin-2-yl]phenyl]methyl]-5-(1-methylcyclopropyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 147745673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).