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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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).