N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide

C28H22FN5O2 — CID 57425726

IUPACN-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C28H22FN5O2/c29-23-12-10-20(11-13-23)26(28(36,21-8-4-14-30-17-21)22-9-5-15-31-18-22)32-27(35)25-16-24(33-34-25)19-6-2-1-3-7-19/h1-18,26,36H,(H,32,35)(H,33,34)/t26-/m1/s1
InChIKeyYAUFCKQIYYBGRJ-AREMUKBSSA-N
MW479.52 g/mol
LogP4.41
Rot. Bonds7

About N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 57425726) has the molecular formula C28H22FN5O2 and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID57425726
Molecular FormulaC28H22FN5O2
Molecular Weight479.52 g/mol
Exact Mass479.18
IUPAC NameN-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C28H22FN5O2/c29-23-12-10-20(11-13-23)26(28(36,21-8-4-14-30-17-21)22-9-5-15-31-18-22)32-27(35)25-16-24(33-34-25)19-6-2-1-3-7-19/h1-18,26,36H,(H,32,35)(H,33,34)/t26-/m1/s1
InChIKeyYAUFCKQIYYBGRJ-AREMUKBSSA-N
XLogP4.41
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 57425726) is N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(N[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is YAUFCKQIYYBGRJ-AREMUKBSSA-N. The full InChI is InChI=1S/C28H22FN5O2/c29-23-12-10-20(11-13-23)26(28(36,21-8-4-14-30-17-21)22-9-5-15-31-18-22)32-27(35)25-16-24(33-34-25)19-6-2-1-3-7-19/h1-18,26,36H,(H,32,35)(H,33,34)/t26-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 57425726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).