N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide

C26H23F2N5O — CID 68780763

IUPACN-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C26H23F2N5O/c27-20-3-1-18(2-4-20)24-23(17-9-13-29-14-10-17)25(32-31-24)19-11-15-33(16-12-19)26(34)30-22-7-5-21(28)6-8-22/h1-10,13-14,19H,11-12,15-16H2,(H,30,34)(H,31,32)
InChIKeyNASKDXJNPMVLPH-UHFFFAOYSA-N
MW459.50 g/mol
LogP5.83
Rot. Bonds4

About N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide

N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 68780763) has the molecular formula C26H23F2N5O and a molecular weight of 459.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID68780763
Molecular FormulaC26H23F2N5O
Molecular Weight459.50 g/mol
Exact Mass459.19
IUPAC NameN-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C26H23F2N5O/c27-20-3-1-18(2-4-20)24-23(17-9-13-29-14-10-17)25(32-31-24)19-11-15-33(16-12-19)26(34)30-22-7-5-21(28)6-8-22/h1-10,13-14,19H,11-12,15-16H2,(H,30,34)(H,31,32)
InChIKeyNASKDXJNPMVLPH-UHFFFAOYSA-N
XLogP5.83
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.50
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 91213482
4-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22262543
1-[4-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 91065681
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]cyclohexan-1-amine
CID 22037336
(2S)-1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;hydrochloride
CID 70209192
4-[3-(4-fluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1H-pyrazol-4-yl]pyridine
CID 59041044
4-[3-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
CID 22037702
(NE)-N-[1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenylethylidene]hydroxylamine
CID 59038080
1-[4-[3-(4-chlorophenyl)-4-[2-(4-fluoroanilino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 22973142
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 68780763) is N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is NASKDXJNPMVLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O/c27-20-3-1-18(2-4-20)24-23(17-9-13-29-14-10-17)25(32-31-24)19-11-15-33(16-12-19)26(34)30-22-7-5-21(28)6-8-22/h1-10,13-14,19H,11-12,15-16H2,(H,30,34)(H,31,32).
What are the key properties of N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 68780763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).