5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide

C26H25FN6O2 — CID 147102634

IUPAC5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide
SMILESCOc1ccc(N2CCN(c3ccc(NC(=O)c4nc(-c5ccccc5)[nH]c4F)cn3)CC2)cc1
InChIInChI=1S/C26H25FN6O2/c1-35-21-10-8-20(9-11-21)32-13-15-33(16-14-32)22-12-7-19(17-28-22)29-26(34)23-24(27)31-25(30-23)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,29,34)(H,30,31)
InChIKeyBKYKLIXKQJUCNL-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.20
Rot. Bonds6

About 5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide

5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide (PubChem CID 147102634) has the molecular formula C26H25FN6O2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide
PubChem CID147102634
Molecular FormulaC26H25FN6O2
Molecular Weight472.52 g/mol
Exact Mass472.20
IUPAC Name5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide
SMILESCOc1ccc(N2CCN(c3ccc(NC(=O)c4nc(-c5ccccc5)[nH]c4F)cn3)CC2)cc1
InChIInChI=1S/C26H25FN6O2/c1-35-21-10-8-20(9-11-21)32-13-15-33(16-14-32)22-12-7-19(17-28-22)29-26(34)23-24(27)31-25(30-23)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,29,34)(H,30,31)
InChIKeyBKYKLIXKQJUCNL-UHFFFAOYSA-N
XLogP4.20
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]oxane-4-carboxamide
CID 113016001
2-fluoro-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850234
N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate
CID 19032426
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 55775986
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 42857527
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094208
4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 53144015
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
N-(4-methoxyphenyl)-5-(4-phenylpiperazine-1-carbonyl)-1H-imidazole-4-carboxamide
CID 16746608
N-(3-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285572

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide (CID 147102634) is 5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide is COc1ccc(N2CCN(c3ccc(NC(=O)c4nc(-c5ccccc5)[nH]c4F)cn3)CC2)cc1.
What is the InChIKey of 5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide?
The InChIKey is BKYKLIXKQJUCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2/c1-35-21-10-8-20(9-11-21)32-13-15-33(16-14-32)22-12-7-19(17-28-22)29-26(34)23-24(27)31-25(30-23)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,29,34)(H,30,31).
What are the key properties of 5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide?
5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 147102634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).