3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid

C15H18F2N4O2 — CID 169088216

IUPAC3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid
SMILESCc1cc(N2C=CN(C(=O)O)C2)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C15H18F2N4O2/c1-11-8-12(20-6-7-21(10-20)14(22)23)9-18-13(11)19-4-2-15(16,17)3-5-19/h6-9H,2-5,10H2,1H3,(H,22,23)
InChIKeyGZUGNQJRXPLKCH-UHFFFAOYSA-N
MW324.33 g/mol
LogP2.85
Rot. Bonds2

About 3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid

3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid (PubChem CID 169088216) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid.

Molecular Properties

Compound Name3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid
PubChem CID169088216
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid
SMILESCc1cc(N2C=CN(C(=O)O)C2)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C15H18F2N4O2/c1-11-8-12(20-6-7-21(10-20)14(22)23)9-18-13(11)19-4-2-15(16,17)3-5-19/h6-9H,2-5,10H2,1H3,(H,22,23)
InChIKeyGZUGNQJRXPLKCH-UHFFFAOYSA-N
XLogP2.85
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]acetic acid
CID 162705309
1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]pyrazole-4-carboxylic acid
CID 162444309
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974321
6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide
CID 162444317
4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 141315989
1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylic acid;methyl 1-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]triazole-4-carboxylate
CID 175894628
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
5-[6-(4,4-difluoropiperidin-1-yl)-5-fluoro-3-pyridinyl]-1H-imidazole-2-carboxylic acid
CID 162444308
methyl 2-(4,4-difluoroazepan-1-yl)-4,5-dimethylpyridine-3-carboxylate
CID 169124268
(E)-3-[6-(4,4-dimethylpiperidin-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80634012
2-(4,4-difluoropiperidin-1-yl)-5-methyl-3-nitropyridine
CID 142614244
5-[(4-chloro-2,3-dihydro-1H-pyrrol-2-yl)methyl]-2-(4,4-difluoropiperidin-1-yl)-3-methylpyridine
CID 150405817

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid?
The IUPAC name of 3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid (CID 169088216) is 3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid.
What is the SMILES notation for 3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid?
The canonical SMILES for 3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid is Cc1cc(N2C=CN(C(=O)O)C2)cnc1N1CCC(F)(F)CC1.
What is the InChIKey of 3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid?
The InChIKey is GZUGNQJRXPLKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c1-11-8-12(20-6-7-21(10-20)14(22)23)9-18-13(11)19-4-2-15(16,17)3-5-19/h6-9H,2-5,10H2,1H3,(H,22,23).
What are the key properties of 3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid?
3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid has a molecular weight of 324.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4,4-difluoropiperidin-1-yl)-5-methyl-3-pyridinyl]-2H-imidazole-1-carboxylic acid is sourced from PubChem (CID 169088216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).