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

C29H32FN9O — CID 70810429

IUPAC4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCn1cc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(CF)nc4ccccc43)n2)cn1
InChIInChI=1S/C29H32FN9O/c1-29(2,16-20-8-4-5-9-22(20)21-18-31-37(3)19-21)36-26-33-27(38-12-14-40-15-13-38)35-28(34-26)39-24-11-7-6-10-23(24)32-25(39)17-30/h4-11,18-19H,12-17H2,1-3H3,(H,33,34,35,36)
InChIKeyHSLUDVPWWIKFDE-UHFFFAOYSA-N
MW541.64 g/mol
LogP4.35
Rot. Bonds8

About 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 70810429) has the molecular formula C29H32FN9O and a molecular weight of 541.64 g/mol. Its IUPAC name is 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID70810429
Molecular FormulaC29H32FN9O
Molecular Weight541.64 g/mol
Exact Mass541.27
IUPAC Name4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCn1cc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(CF)nc4ccccc43)n2)cn1
InChIInChI=1S/C29H32FN9O/c1-29(2,16-20-8-4-5-9-22(20)21-18-31-37(3)19-21)36-26-33-27(38-12-14-40-15-13-38)35-28(34-26)39-24-11-7-6-10-23(24)32-25(39)17-30/h4-11,18-19H,12-17H2,1-3H3,(H,33,34,35,36)
InChIKeyHSLUDVPWWIKFDE-UHFFFAOYSA-N
XLogP4.35
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.64
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 70810429) is 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrazol-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-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cn1cc(-c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(CF)nc4ccccc43)n2)cn1.
What is the InChIKey of 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is HSLUDVPWWIKFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN9O/c1-29(2,16-20-8-4-5-9-22(20)21-18-31-37(3)19-21)36-26-33-27(38-12-14-40-15-13-38)35-28(34-26)39-24-11-7-6-10-23(24)32-25(39)17-30/h4-11,18-19H,12-17H2,1-3H3,(H,33,34,35,36).
What are the key properties of 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 541.64 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(fluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-[2-(1-methylpyrazol-4-yl)phenyl]propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70810429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).