2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine

C40H41F2N9O2 — CID 57118194

IUPAC2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine
SMILESCCOc1nccc(-c2c(-c3ccc(F)cc3)nc(-c3nc(-c4ccc(F)cc4)c(-c4ccnc(OC)c4)n3C3CCNCC3)n2C2CCNCC2)n1
InChIInChI=1S/C40H41F2N9O2/c1-3-53-40-46-23-17-32(47-40)37-35(26-6-10-29(42)11-7-26)49-39(51(37)31-15-20-44-21-16-31)38-48-34(25-4-8-28(41)9-5-25)36(27-12-22-45-33(24-27)52-2)50(38)30-13-18-43-19-14-30/h4-12,17,22-24,30-31,43-44H,3,13-16,18-21H2,1-2H3
InChIKeyNSSXMBUNCGXKHZ-UHFFFAOYSA-N
MW717.83 g/mol
LogP7.13
Rot. Bonds10

About 2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine

2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine (PubChem CID 57118194) has the molecular formula C40H41F2N9O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine
PubChem CID57118194
Molecular FormulaC40H41F2N9O2
Molecular Weight717.83 g/mol
Exact Mass717.34
IUPAC Name2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine
SMILESCCOc1nccc(-c2c(-c3ccc(F)cc3)nc(-c3nc(-c4ccc(F)cc4)c(-c4ccnc(OC)c4)n3C3CCNCC3)n2C2CCNCC2)n1
InChIInChI=1S/C40H41F2N9O2/c1-3-53-40-46-23-17-32(47-40)37-35(26-6-10-29(42)11-7-26)49-39(51(37)31-15-20-44-21-16-31)38-48-34(25-4-8-28(41)9-5-25)36(27-12-22-45-33(24-27)52-2)50(38)30-13-18-43-19-14-30/h4-12,17,22-24,30-31,43-44H,3,13-16,18-21H2,1-2H3
InChIKeyNSSXMBUNCGXKHZ-UHFFFAOYSA-N
XLogP7.13
TPSA116.83 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine 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

(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]-2-(2-Methoxyphenoxy)pyrimidine
CID 15872406
2-(4-tert-Butyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 18536613
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675
4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-2-(4-methoxy-phenoxy)-pyrimidine
CID 9868139
2-(2,4-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9889622
N-Cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine
CID 10139996
N-Cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine
CID 10162184
2-(4-Ethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 10321190
2-(4-Benzyloxy-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 15872390

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The IUPAC name of 2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine (CID 57118194) is 2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine.
What is the SMILES notation for 2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The canonical SMILES for 2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine is CCOc1nccc(-c2c(-c3ccc(F)cc3)nc(-c3nc(-c4ccc(F)cc4)c(-c4ccnc(OC)c4)n3C3CCNCC3)n2C2CCNCC2)n1.
What is the InChIKey of 2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The InChIKey is NSSXMBUNCGXKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41F2N9O2/c1-3-53-40-46-23-17-32(47-40)37-35(26-6-10-29(42)11-7-26)49-39(51(37)31-15-20-44-21-16-31)38-48-34(25-4-8-28(41)9-5-25)36(27-12-22-45-33(24-27)52-2)50(38)30-13-18-43-19-14-30/h4-12,17,22-24,30-31,43-44H,3,13-16,18-21H2,1-2H3.
What are the key properties of 2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine has a molecular weight of 717.83 g/mol, XLogP of 7.13, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[5-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyridinyl)-1-piperidin-4-ylimidazol-2-yl]-3-piperidin-4-ylimidazol-4-yl]pyrimidine is sourced from PubChem (CID 57118194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).