(4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C26H22ClFN4O — CID 91213482

IUPAC(4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C26H22ClFN4O/c27-21-5-1-20(2-6-21)26(33)32-15-11-19(12-16-32)25-23(17-9-13-29-14-10-17)24(30-31-25)18-3-7-22(28)8-4-18/h1-10,13-14,19H,11-12,15-16H2,(H,30,31)
InChIKeyQYDZOLOSKHFAKD-UHFFFAOYSA-N
MW460.94 g/mol
LogP5.95
Rot. Bonds4

About (4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 91213482) has the molecular formula C26H22ClFN4O and a molecular weight of 460.94 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID91213482
Molecular FormulaC26H22ClFN4O
Molecular Weight460.94 g/mol
Exact Mass460.15
IUPAC Name(4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C26H22ClFN4O/c27-21-5-1-20(2-6-21)26(33)32-15-11-19(12-16-32)25-23(17-9-13-29-14-10-17)24(30-31-25)18-3-7-22(28)8-4-18/h1-10,13-14,19H,11-12,15-16H2,(H,30,31)
InChIKeyQYDZOLOSKHFAKD-UHFFFAOYSA-N
XLogP5.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.94
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;hydrochloride
CID 70209192
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 68780763
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-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 91065681
1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;hydrochloride
CID 22037518
1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 10024629
4-[3-(4-fluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1H-pyrazol-4-yl]pyridine
CID 59041044
1-[4-[3-(4-chlorophenyl)-4-[2-(4-fluoroanilino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
CID 22973142
2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine
CID 22037209
[2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl] dihydrogen phosphate
CID 10322807
5-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-propan-2-ylpiperidin-2-one
CID 22953930

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 91213482) is (4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is QYDZOLOSKHFAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O/c27-21-5-1-20(2-6-21)26(33)32-15-11-19(12-16-32)25-23(17-9-13-29-14-10-17)24(30-31-25)18-3-7-22(28)8-4-18/h1-10,13-14,19H,11-12,15-16H2,(H,30,31).
What are the key properties of (4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 460.94 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91213482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).