5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine

C42H31Cl2F3N10 — CID 157409004

IUPAC5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2nccc(-c3ccc(N)nc3)n2)n1.Cc1cc(-c2ccc(Cl)c(Cl)c2)cc(-n2cnc(-c3ccc(N)nc3)c2)n1
InChIInChI=1S/C22H16F3N5.C20H15Cl2N5/c1-13-10-16(14-2-5-17(6-3-14)22(23,24)25)11-19(29-13)21-27-9-8-18(30-21)15-4-7-20(26)28-12-15;1-12-6-15(13-2-4-16(21)17(22)7-13)8-20(26-12)27-10-18(25-11-27)14-3-5-19(23)24-9-14/h2-12H,1H3,(H2,26,28);2-11H,1H3,(H2,23,24)
InChIKeyBOBFOBNIDCCGLP-UHFFFAOYSA-N
MW803.68 g/mol
LogP10.37
Rot. Bonds6

About 5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine

5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine (PubChem CID 157409004) has the molecular formula C42H31Cl2F3N10 and a molecular weight of 803.68 g/mol. Its IUPAC name is 5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine
PubChem CID157409004
Molecular FormulaC42H31Cl2F3N10
Molecular Weight803.68 g/mol
Exact Mass802.21
IUPAC Name5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2nccc(-c3ccc(N)nc3)n2)n1.Cc1cc(-c2ccc(Cl)c(Cl)c2)cc(-n2cnc(-c3ccc(N)nc3)c2)n1
InChIInChI=1S/C22H16F3N5.C20H15Cl2N5/c1-13-10-16(14-2-5-17(6-3-14)22(23,24)25)11-19(29-13)21-27-9-8-18(30-21)15-4-7-20(26)28-12-15;1-12-6-15(13-2-4-16(21)17(22)7-13)8-20(26-12)27-10-18(25-11-27)14-3-5-19(23)24-9-14/h2-12H,1H3,(H2,26,28);2-11H,1H3,(H2,23,24)
InChIKeyBOBFOBNIDCCGLP-UHFFFAOYSA-N
XLogP10.37
TPSA147.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.68
LogP ≤ 510.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine with MolForge

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

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Related Compounds

Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872
Cyclohexyl-(4-(5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447873
5-(6-Chloropyridin-3-yl)-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 89445368
5-(3-Chloro-phenyl)-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-4-ylamine
CID 89445416
US11420970, Example 180
CID 156073156
US11420970, Example 196
CID 156073192
US11420970, Example 200
CID 156073193
US11420970, Example 246
CID 156073202
US11420970, Example 221
CID 156073276
US11420970, Example 223
CID 156073277
US11420970, Example 12
CID 156073288
US11420970, Example 191
CID 156073324

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine (CID 157409004) is 5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2nccc(-c3ccc(N)nc3)n2)n1.Cc1cc(-c2ccc(Cl)c(Cl)c2)cc(-n2cnc(-c3ccc(N)nc3)c2)n1.
What is the InChIKey of 5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine?
The InChIKey is BOBFOBNIDCCGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5.C20H15Cl2N5/c1-13-10-16(14-2-5-17(6-3-14)22(23,24)25)11-19(29-13)21-27-9-8-18(30-21)15-4-7-20(26)28-12-15;1-12-6-15(13-2-4-16(21)17(22)7-13)8-20(26-12)27-10-18(25-11-27)14-3-5-19(23)24-9-14/h2-12H,1H3,(H2,26,28);2-11H,1H3,(H2,23,24).
What are the key properties of 5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine?
5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine has a molecular weight of 803.68 g/mol, XLogP of 10.37, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(3,4-dichlorophenyl)-6-methyl-2-pyridinyl]imidazol-4-yl]pyridin-2-amine;5-[2-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 157409004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).