2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide

C24H25FN4O3 — CID 160901595

IUPAC2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide
SMILESCc1ccc(CC(=O)N2CC[C@H](Oc3ncc(C4=CCC=N4)cc3C(N)=O)[C@H](F)C2)cc1
InChIInChI=1S/C24H25FN4O3/c1-15-4-6-16(7-5-15)11-22(30)29-10-8-21(19(25)14-29)32-24-18(23(26)31)12-17(13-28-24)20-3-2-9-27-20/h3-7,9,12-13,19,21H,2,8,10-11,14H2,1H3,(H2,26,31)/t19-,21+/m1/s1
InChIKeySPOQGDBROZPJOE-CTNGQTDRSA-N
MW436.49 g/mol
LogP2.86
Rot. Bonds6

About 2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide

2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide (PubChem CID 160901595) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide
PubChem CID160901595
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide
SMILESCc1ccc(CC(=O)N2CC[C@H](Oc3ncc(C4=CCC=N4)cc3C(N)=O)[C@H](F)C2)cc1
InChIInChI=1S/C24H25FN4O3/c1-15-4-6-16(7-5-15)11-22(30)29-10-8-21(19(25)14-29)32-24-18(23(26)31)12-17(13-28-24)20-3-2-9-27-20/h3-7,9,12-13,19,21H,2,8,10-11,14H2,1H3,(H2,26,31)/t19-,21+/m1/s1
InChIKeySPOQGDBROZPJOE-CTNGQTDRSA-N
XLogP2.86
TPSA97.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(2-methyl-3H-pyrrol-5-yl)pyridine-3-carboxamide
CID 157312763
2-[(4S)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-5-(1-methylimidazol-4-yl)pyridine-3-carboxamide
CID 118189709
3-[(3S)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyridazine-4-carboxamide
CID 162595812
2-[(4S)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
CID 144867148
2-[(3R,4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-(2-hydroxy-2-methylpropoxy)benzamide
CID 118665613
2-[(4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-4-hydroxybenzamide
CID 144999069
2-[(3R,4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-5-[1-[4-[[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutyl]imidazol-4-yl]pyridine-3-carboxamide
CID 156701245
2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide
CID 160996950
(3S,4R)-4-[2-carbamoyl-4-(1-methylimidazol-4-yl)phenoxy]-3-fluoropiperidine-1-carboxylic acid
CID 118167851
2-[(3R,4R)-3-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxy-5-[1-[4-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethylamino]-4-oxobutyl]imidazol-4-yl]pyridine-3-carboxamide
CID 156701239
5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
CID 140814417
2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride
CID 118167935

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide (CID 160901595) is 2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide is Cc1ccc(CC(=O)N2CC[C@H](Oc3ncc(C4=CCC=N4)cc3C(N)=O)[C@H](F)C2)cc1.
What is the InChIKey of 2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide?
The InChIKey is SPOQGDBROZPJOE-CTNGQTDRSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-15-4-6-16(7-5-15)11-22(30)29-10-8-21(19(25)14-29)32-24-18(23(26)31)12-17(13-28-24)20-3-2-9-27-20/h3-7,9,12-13,19,21H,2,8,10-11,14H2,1H3,(H2,26,31)/t19-,21+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide?
2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-fluoro-1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]oxy-5-(3H-pyrrol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 160901595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).