4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid

C23H25FN6O3 — CID 25183768

IUPAC4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(-c2nnn(CC3CCC(C(=O)O)CC3)n2)cc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C23H25FN6O3/c1-14-10-18(11-20(26-14)22(31)25-12-15-4-8-19(24)9-5-15)21-27-29-30(28-21)13-16-2-6-17(7-3-16)23(32)33/h4-5,8-11,16-17H,2-3,6-7,12-13H2,1H3,(H,25,31)(H,32,33)
InChIKeyKOTGODCEORJYIF-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.00
Rot. Bonds7

About 4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid

4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 25183768) has the molecular formula C23H25FN6O3 and a molecular weight of 452.49 g/mol. Its IUPAC name is 4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID25183768
Molecular FormulaC23H25FN6O3
Molecular Weight452.49 g/mol
Exact Mass452.20
IUPAC Name4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(-c2nnn(CC3CCC(C(=O)O)CC3)n2)cc(C(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C23H25FN6O3/c1-14-10-18(11-20(26-14)22(31)25-12-15-4-8-19(24)9-5-15)21-27-29-30(28-21)13-16-2-6-17(7-3-16)23(32)33/h4-5,8-11,16-17H,2-3,6-7,12-13H2,1H3,(H,25,31)(H,32,33)
InChIKeyKOTGODCEORJYIF-UHFFFAOYSA-N
XLogP3.00
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

trans-4-((5-(2-(4-fluoro-3-methoxybenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
CID 25181615
trans-4-((5-(2-(3-methoxybenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
CID 46225509
trans-4-((5-(2-(3-chloro-4-fluorobenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
CID 46225536
trans-4-((5-(2-(4-fluoro-3-(trifluoromethyl)benzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
CID 46225537
trans-4-((5-(2-(4-fluoro-3-methylbenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
CID 46225538
4-[(5-{2-[(3-Fluorobenzyl)carbamoyl]pyridin-4-Yl}-2h-Tetrazol-2-Yl)methyl]benzoic Acid
CID 46225419
4-((5-(2-(4-fluorobenzylcarbamoyl)pyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225418
4-((5-(2-(3,4-difluorobenzylcarbamoyl)pyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225437
4-((5-(2-(4-fluorobenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225455
4-((5-(2-(3,4-difluorobenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)benzoic acid
CID 46225474
trans-4-((5-(2-(3-cyanobenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
CID 46225507
trans-4-((5-(2-(3-hydroxybenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
CID 46225508

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid (CID 25183768) is 4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid is Cc1cc(-c2nnn(CC3CCC(C(=O)O)CC3)n2)cc(C(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of 4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is KOTGODCEORJYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O3/c1-14-10-18(11-20(26-14)22(31)25-12-15-4-8-19(24)9-5-15)21-27-29-30(28-21)13-16-2-6-17(7-3-16)23(32)33/h4-5,8-11,16-17H,2-3,6-7,12-13H2,1H3,(H,25,31)(H,32,33).
What are the key properties of 4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid?
4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 452.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-4-pyridinyl]tetrazol-2-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 25183768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).