1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid

C25H27F2N3O4 — CID 154018976

IUPAC1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1c1ccccc1
InChIInChI=1S/C25H27F2N3O4/c26-25(27)14-29(15-25)20-11-10-19(28-22(20)34-13-16-8-9-16)23(31)30-12-4-7-18(24(32)33)21(30)17-5-2-1-3-6-17/h1-3,5-6,10-11,16,18,21H,4,7-9,12-15H2,(H,32,33)
InChIKeyBRLCWRWTDHUGEM-UHFFFAOYSA-N
MW471.50 g/mol
LogP4.00
Rot. Bonds7

About 1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid

1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid (PubChem CID 154018976) has the molecular formula C25H27F2N3O4 and a molecular weight of 471.50 g/mol. Its IUPAC name is 1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid
PubChem CID154018976
Molecular FormulaC25H27F2N3O4
Molecular Weight471.50 g/mol
Exact Mass471.20
IUPAC Name1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1c1ccccc1
InChIInChI=1S/C25H27F2N3O4/c26-25(27)14-29(15-25)20-11-10-19(28-22(20)34-13-16-8-9-16)23(31)30-12-4-7-18(24(32)33)21(30)17-5-2-1-3-6-17/h1-3,5-6,10-11,16,18,21H,4,7-9,12-15H2,(H,32,33)
InChIKeyBRLCWRWTDHUGEM-UHFFFAOYSA-N
XLogP4.00
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 130312677
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-(2-thia-6-azaspiro[3.3]heptan-6-yl)methanone
CID 144638507
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone
CID 123443174
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-[(4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 118451444
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 71105626
[(4R)-4-[amino(hydroxy)methyl]-1,3-thiazolidin-3-yl]-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone
CID 130312638
N-[(2R)-1-benzyl-3-ethyl-2-methylazetidin-3-yl]-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 162593998
1-tert-butyl-1,3,3-trimethylurea;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204423
2-(tert-butylamino)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204266
6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid
CID 118418710
2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 162622488
N-(2-amino-2-oxoethyl)-N-tert-butyl-6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxamide
CID 90204589

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid (CID 154018976) is 1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C1c1ccccc1.
What is the InChIKey of 1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid?
The InChIKey is BRLCWRWTDHUGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O4/c26-25(27)14-29(15-25)20-11-10-19(28-22(20)34-13-16-8-9-16)23(31)30-12-4-7-18(24(32)33)21(30)17-5-2-1-3-6-17/h1-3,5-6,10-11,16,18,21H,4,7-9,12-15H2,(H,32,33).
What are the key properties of 1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid?
1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid has a molecular weight of 471.50 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid is sourced from PubChem (CID 154018976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).