2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine

C71H68ClF3N12 — CID 91521506

IUPAC2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine
SMILESFc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc(Cl)c2)cc1.Fc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc(Nc3ccccc3)c2)cc1.Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C26H25FN4.C25H24FN5.C20H19ClFN3/c27-21-13-11-19(12-14-21)25-26(31(18-29-25)23-9-5-2-6-10-23)20-15-16-28-24(17-20)30-22-7-3-1-4-8-22;26-20-8-6-18(7-9-20)24-25(31(17-29-24)22-11-13-27-14-12-22)19-10-15-28-23(16-19)30-21-4-2-1-3-5-21;21-18-12-15(10-11-23-18)20-19(14-6-8-16(22)9-7-14)24-13-25(20)17-4-2-1-3-5-17/h1,3-4,7-8,11-18,23H,2,5-6,9-10H2,(H,28,30);1-10,15-17,22,27H,11-14H2,(H,28,30);6-13,17H,1-5H2
InChIKeyPCSLJXFKXBJZGK-UHFFFAOYSA-N
MW1181.86 g/mol
LogP18.33
Rot. Bonds13

About 2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine

2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine (PubChem CID 91521506) has the molecular formula C71H68ClF3N12 and a molecular weight of 1181.86 g/mol. Its IUPAC name is 2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine
PubChem CID91521506
Molecular FormulaC71H68ClF3N12
Molecular Weight1181.86 g/mol
Exact Mass1180.53
IUPAC Name2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine
SMILESFc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc(Cl)c2)cc1.Fc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc(Nc3ccccc3)c2)cc1.Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C26H25FN4.C25H24FN5.C20H19ClFN3/c27-21-13-11-19(12-14-21)25-26(31(18-29-25)23-9-5-2-6-10-23)20-15-16-28-24(17-20)30-22-7-3-1-4-8-22;26-20-8-6-18(7-9-20)24-25(31(17-29-24)22-11-13-27-14-12-22)19-10-15-28-23(16-19)30-21-4-2-1-3-5-21;21-18-12-15(10-11-23-18)20-19(14-6-8-16(22)9-7-14)24-13-25(20)17-4-2-1-3-5-17/h1,3-4,7-8,11-18,23H,2,5-6,9-10H2,(H,28,30);1-10,15-17,22,27H,11-14H2,(H,28,30);6-13,17H,1-5H2
InChIKeyPCSLJXFKXBJZGK-UHFFFAOYSA-N
XLogP18.33
TPSA128.22 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001181.86
LogP ≤ 518.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine with MolForge

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Related Compounds

6-Chloro-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
CID 10141243
2-N-(3-chloro-4-fluorophenyl)-6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494023
US9650358, Example 226
CID 90412353
US9650358, Example 124
CID 90412790
US9650358, Example 227
CID 90414267
US9650358, Example 225
CID 90415569
US11420970, Example 180
CID 156073156
US11420970, Example 196
CID 156073192
US11420970, Example 200
CID 156073193
US11420970, Example 249
CID 156073197
US11420970, Example 246
CID 156073202
US11420970, Example 254
CID 156073205

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine?
The IUPAC name of 2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine (CID 91521506) is 2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine.
What is the SMILES notation for 2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine?
The canonical SMILES for 2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine is Fc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc(Cl)c2)cc1.Fc1ccc(-c2ncn(C3CCCCC3)c2-c2ccnc(Nc3ccccc3)c2)cc1.Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Nc3ccccc3)c2)cc1.
What is the InChIKey of 2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine?
The InChIKey is PCSLJXFKXBJZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4.C25H24FN5.C20H19ClFN3/c27-21-13-11-19(12-14-21)25-26(31(18-29-25)23-9-5-2-6-10-23)20-15-16-28-24(17-20)30-22-7-3-1-4-8-22;26-20-8-6-18(7-9-20)24-25(31(17-29-24)22-11-13-27-14-12-22)19-10-15-28-23(16-19)30-21-4-2-1-3-5-21;21-18-12-15(10-11-23-18)20-19(14-6-8-16(22)9-7-14)24-13-25(20)17-4-2-1-3-5-17/h1,3-4,7-8,11-18,23H,2,5-6,9-10H2,(H,28,30);1-10,15-17,22,27H,11-14H2,(H,28,30);6-13,17H,1-5H2.
What are the key properties of 2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine?
2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine has a molecular weight of 1181.86 g/mol, XLogP of 18.33, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyridine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-phenylpyridin-2-amine;4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 91521506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).