methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate

C31H32F2N4O3 — CID 142917755

IUPACmethyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C2CCN(CCCN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3C)CC2)ccn1
InChIInChI=1S/C31H32F2N4O3/c1-21-35-31(24-4-8-26(32)9-5-24,25-6-10-27(33)11-7-25)30(39)37(21)17-3-16-36-18-13-22(14-19-36)23-12-15-34-28(20-23)29(38)40-2/h4-12,15,20,22H,3,13-14,16-19H2,1-2H3
InChIKeyKJBGAEFWOFBZLW-UHFFFAOYSA-N
MW546.62 g/mol
LogP4.92
Rot. Bonds8

About methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate

methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate (PubChem CID 142917755) has the molecular formula C31H32F2N4O3 and a molecular weight of 546.62 g/mol. Its IUPAC name is methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate
PubChem CID142917755
Molecular FormulaC31H32F2N4O3
Molecular Weight546.62 g/mol
Exact Mass546.24
IUPAC Namemethyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C2CCN(CCCN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3C)CC2)ccn1
InChIInChI=1S/C31H32F2N4O3/c1-21-35-31(24-4-8-26(32)9-5-24,25-6-10-27(33)11-7-25)30(39)37(21)17-3-16-36-18-13-22(14-19-36)23-12-15-34-28(20-23)29(38)40-2/h4-12,15,20,22H,3,13-14,16-19H2,1-2H3
InChIKeyKJBGAEFWOFBZLW-UHFFFAOYSA-N
XLogP4.92
TPSA75.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.62
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-(4-Fluorophenyl)-1-methyl-5-(4-methyl-1-piperazinyl)-4-(4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 10386733
Methyl 5-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419766
Methyl 3-(4-fluorophenyl)-1-methyl-5-(4-propylpiperazin-1-yl)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419771
Methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperidin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419788
Methyl 3-(4-fluorophenyl)-1-methyl-5-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419792
3-(4-Fluorophenyl)-1-methyl-5-(1-piperazinyl)-4-(4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 44419820
Methyl 3-(4-fluorophenyl)-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419774
Methyl 5-[4-[cyclopropyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]phenyl]pyridine-2-carboxylate
CID 89995616
Methyl 2-[1-(5-fluoropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenyl)benzoate
CID 156815083
US20240051956, Example 79
CID 164555168
Methyl 3-(4-fluorophenyl)-1-methyl-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-4-pyridin-4-ylpyrrole-2-carboxylate
CID 10095103
5-[(3,5-Bis-trifluoromethyl-benzyl)-methyl-carbamoyl]-4-o-tolyl-pyridine-2-carboxylic acid methyl ester
CID 10207712

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate (CID 142917755) is methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate is COC(=O)c1cc(C2CCN(CCCN3C(=O)C(c4ccc(F)cc4)(c4ccc(F)cc4)N=C3C)CC2)ccn1.
What is the InChIKey of methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate?
The InChIKey is KJBGAEFWOFBZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N4O3/c1-21-35-31(24-4-8-26(32)9-5-24,25-6-10-27(33)11-7-25)30(39)37(21)17-3-16-36-18-13-22(14-19-36)23-12-15-34-28(20-23)29(38)40-2/h4-12,15,20,22H,3,13-14,16-19H2,1-2H3.
What are the key properties of methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate?
methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate has a molecular weight of 546.62 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-[3-[4,4-bis(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 142917755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).