[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone

C24H21FN4O2 — CID 22953891

IUPAC[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C24H21FN4O2/c25-19-5-3-17(4-6-19)22-21(16-7-11-26-12-8-16)23(28-27-22)18-9-13-29(14-10-18)24(30)20-2-1-15-31-20/h1-8,11-12,15,18H,9-10,13-14H2,(H,27,28)
InChIKeyROGCJOZHLVAGGI-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.89
Rot. Bonds4

About [4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone

[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 22953891) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is [4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID22953891
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C24H21FN4O2/c25-19-5-3-17(4-6-19)22-21(16-7-11-26-12-8-16)23(28-27-22)18-9-13-29(14-10-18)24(30)20-2-1-15-31-20/h1-8,11-12,15,18H,9-10,13-14H2,(H,27,28)
InChIKeyROGCJOZHLVAGGI-UHFFFAOYSA-N
XLogP4.89
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-{N-[5-(1H-pyrazol-1-ylmethyl)-2-furoyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5431606
(E)-N-(2-(2-((1H-indol-3-yl)methylene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 135472833
N-{2-[4-(4-Fluorophenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}furan-2-carboxamide
CID 3590080
N-{2-[4-(2-Fluorophenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}furan-2-carboxamide
CID 4067284
N'-[(E)-(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]furan-2-carbohydrazide
CID 9558477
[4-[1-(3-Fluorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 16023269
1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-furoyl)piperazine
CID 16191908
[4-[3-(4-Fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 16322920
[4-(1,4-Dihydroindeno[2,1-d]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-morpholin-4-ylmethanone
CID 52947491
N-[2-(tert-butylamino)-2-oxo-1-(1H-pyrazol-5-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 53297485
ALP-POS-b0bc6a46-5
CID 156906936
1-[4-(6-Fluoro-3-pyridinyl)phenyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 166630238

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone (CID 22953891) is [4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of [4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is ROGCJOZHLVAGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-19-5-3-17(4-6-19)22-21(16-7-11-26-12-8-16)23(28-27-22)18-9-13-29(14-10-18)24(30)20-2-1-15-31-20/h1-8,11-12,15,18H,9-10,13-14H2,(H,27,28).
What are the key properties of [4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone?
[4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 416.46 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 22953891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).