4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C28H30FN9O — CID 70810585

IUPAC4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1ccccc1-c1cn[nH]c1)Nc1nc(N2CCOCC2)nc(-n2c(CF)nc3ccccc32)n1
InChIInChI=1S/C28H30FN9O/c1-28(2,15-19-7-3-4-8-21(19)20-17-30-31-18-20)36-25-33-26(37-11-13-39-14-12-37)35-27(34-25)38-23-10-6-5-9-22(23)32-24(38)16-29/h3-10,17-18H,11-16H2,1-2H3,(H,30,31)(H,33,34,35,36)
InChIKeyHJIRJAVBBOEDQB-UHFFFAOYSA-N
MW527.61 g/mol
LogP4.34
Rot. Bonds8

About 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 70810585) has the molecular formula C28H30FN9O and a molecular weight of 527.61 g/mol. Its IUPAC name is 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID70810585
Molecular FormulaC28H30FN9O
Molecular Weight527.61 g/mol
Exact Mass527.26
IUPAC Name4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1ccccc1-c1cn[nH]c1)Nc1nc(N2CCOCC2)nc(-n2c(CF)nc3ccccc32)n1
InChIInChI=1S/C28H30FN9O/c1-28(2,15-19-7-3-4-8-21(19)20-17-30-31-18-20)36-25-33-26(37-11-13-39-14-12-37)35-27(34-25)38-23-10-6-5-9-22(23)32-24(38)16-29/h3-10,17-18H,11-16H2,1-2H3,(H,30,31)(H,33,34,35,36)
InChIKeyHJIRJAVBBOEDQB-UHFFFAOYSA-N
XLogP4.34
TPSA109.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.61
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine 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 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 70810585) is 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is CC(C)(Cc1ccccc1-c1cn[nH]c1)Nc1nc(N2CCOCC2)nc(-n2c(CF)nc3ccccc32)n1.
What is the InChIKey of 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is HJIRJAVBBOEDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN9O/c1-28(2,15-19-7-3-4-8-21(19)20-17-30-31-18-20)36-25-33-26(37-11-13-39-14-12-37)35-27(34-25)38-23-10-6-5-9-22(23)32-24(38)16-29/h3-10,17-18H,11-16H2,1-2H3,(H,30,31)(H,33,34,35,36).
What are the key properties of 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 527.61 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70810585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).