[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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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).