6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide

C22H18FN7O2 — CID 148787730

IUPAC6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
SMILES[2H]C([2H])(NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)ncn1)c1ccc(C2=NN=NC2)cc1
InChIInChI=1S/C22H18FN7O2/c23-17-7-3-15(4-8-17)11-25-22(32)19-9-18(26-13-27-19)21(31)24-10-14-1-5-16(6-2-14)20-12-28-30-29-20/h1-9,13H,10-12H2,(H,24,31)(H,25,32)/i10D2
InChIKeyOLOHMSWDGNOLLN-KBMKNGFXSA-N
MW433.44 g/mol
LogP2.65
Rot. Bonds7

About 6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide

6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide (PubChem CID 148787730) has the molecular formula C22H18FN7O2 and a molecular weight of 433.44 g/mol. Its IUPAC name is 6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
PubChem CID148787730
Molecular FormulaC22H18FN7O2
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
SMILES[2H]C([2H])(NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)ncn1)c1ccc(C2=NN=NC2)cc1
InChIInChI=1S/C22H18FN7O2/c23-17-7-3-15(4-8-17)11-25-22(32)19-9-18(26-13-27-19)21(31)24-10-14-1-5-16(6-2-14)20-12-28-30-29-20/h1-9,13H,10-12H2,(H,24,31)(H,25,32)/i10D2
InChIKeyOLOHMSWDGNOLLN-KBMKNGFXSA-N
XLogP2.65
TPSA121.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-N-[dideuterio-(4-fluorophenyl)methyl]-6-N-[dideuterio-[4-(4H-pyrazol-3-yl)phenyl]methyl]pyrimidine-4,6-dicarboxamide
CID 162025970
methyl 4-[[[6-[[dideuterio-(4-fluorophenyl)methyl]carbamoyl]pyrimidine-4-carbonyl]amino]methyl]benzoate
CID 118410994
6-[[dideuterio-(4-fluorophenyl)methyl]carbamoyl]pyrimidine-4-carboxylic acid
CID 118410970
4-N-[dideuterio-(4-fluoro-3-methylphenyl)methyl]-6-N-[dideuterio-(4-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 118410938
6-N-benzyl-4-N-[(4-cyanophenyl)-dideuteriomethyl]pyrimidine-4,6-dicarboxamide
CID 118410976
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109345258
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377
6-(2,6-difluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348491
N-[(4-fluorophenyl)methyl]-6-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109343121
6-(2-fluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348436
4-[[6-[(4-fluorophenyl)methylcarbamoyl]pyrimidin-4-yl]carbamoyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 25002841
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699

Frequently Asked Questions

What is the IUPAC name of 6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide (CID 148787730) is 6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide is [2H]C([2H])(NC(=O)c1cc(C(=O)NCc2ccc(F)cc2)ncn1)c1ccc(C2=NN=NC2)cc1.
What is the InChIKey of 6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide?
The InChIKey is OLOHMSWDGNOLLN-KBMKNGFXSA-N. The full InChI is InChI=1S/C22H18FN7O2/c23-17-7-3-15(4-8-17)11-25-22(32)19-9-18(26-13-27-19)21(31)24-10-14-1-5-16(6-2-14)20-12-28-30-29-20/h1-9,13H,10-12H2,(H,24,31)(H,25,32)/i10D2.
What are the key properties of 6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide?
6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide has a molecular weight of 433.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[dideuterio-[4-(4H-triazol-5-yl)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 148787730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).