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

C28H29F2N9O — CID 175056562

IUPAC4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1ccccc1-c1cn[nH]c1)Nc1nc(C2CNCCO2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C28H29F2N9O/c1-28(2,13-17-7-3-4-8-19(17)18-14-32-33-15-18)38-26-35-24(22-16-31-11-12-40-22)36-27(37-26)39-21-10-6-5-9-20(21)34-25(39)23(29)30/h3-10,14-15,22-23,31H,11-13,16H2,1-2H3,(H,32,33)(H,35,36,37,38)
InChIKeyUJFPCABIRJTWPK-UHFFFAOYSA-N
MW545.60 g/mol
LogP4.63
Rot. Bonds8

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

4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine (PubChem CID 175056562) has the molecular formula C28H29F2N9O and a molecular weight of 545.60 g/mol. Its IUPAC name is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine
PubChem CID175056562
Molecular FormulaC28H29F2N9O
Molecular Weight545.60 g/mol
Exact Mass545.25
IUPAC Name4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)(Cc1ccccc1-c1cn[nH]c1)Nc1nc(C2CNCCO2)nc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C28H29F2N9O/c1-28(2,13-17-7-3-4-8-19(17)18-14-32-33-15-18)38-26-35-24(22-16-31-11-12-40-22)36-27(37-26)39-21-10-6-5-9-20(21)34-25(39)23(29)30/h3-10,14-15,22-23,31H,11-13,16H2,1-2H3,(H,32,33)(H,35,36,37,38)
InChIKeyUJFPCABIRJTWPK-UHFFFAOYSA-N
XLogP4.63
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.60
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-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-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine (CID 175056562) is 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine is CC(C)(Cc1ccccc1-c1cn[nH]c1)Nc1nc(C2CNCCO2)nc(-n2c(C(F)F)nc3ccccc32)n1.
What is the InChIKey of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine?
The InChIKey is UJFPCABIRJTWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N9O/c1-28(2,13-17-7-3-4-8-19(17)18-14-32-33-15-18)38-26-35-24(22-16-31-11-12-40-22)36-27(37-26)39-21-10-6-5-9-20(21)34-25(39)23(29)30/h3-10,14-15,22-23,31H,11-13,16H2,1-2H3,(H,32,33)(H,35,36,37,38).
What are the key properties of 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine?
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine has a molecular weight of 545.60 g/mol, XLogP of 4.63, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1H-pyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 175056562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).