4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

C24H17F4N5O — CID 146569062

IUPAC4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
SMILESO=c1c(CCc2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccncc2[nH]1
InChIInChI=1S/C24H17F4N5O/c25-17-8-1-14(2-9-17)3-10-18-21(15-4-6-16(7-5-15)24(26,27)28)32-33(22(18)34)23-30-19-11-12-29-13-20(19)31-23/h1-2,4-9,11-13,32H,3,10H2,(H,30,31)
InChIKeyFPMYVNAJKFUJQI-UHFFFAOYSA-N
MW467.43 g/mol
LogP5.05
Rot. Bonds5

About 4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (PubChem CID 146569062) has the molecular formula C24H17F4N5O and a molecular weight of 467.43 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
PubChem CID146569062
Molecular FormulaC24H17F4N5O
Molecular Weight467.43 g/mol
Exact Mass467.14
IUPAC Name4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
SMILESO=c1c(CCc2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccncc2[nH]1
InChIInChI=1S/C24H17F4N5O/c25-17-8-1-14(2-9-17)3-10-18-21(15-4-6-16(7-5-15)24(26,27)28)32-33(22(18)34)23-30-19-11-12-29-13-20(19)31-23/h1-2,4-9,11-13,32H,3,10H2,(H,30,31)
InChIKeyFPMYVNAJKFUJQI-UHFFFAOYSA-N
XLogP5.05
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.43
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one (CID 146569062) is 4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is O=c1c(CCc2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]n1-c1nc2ccncc2[nH]1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
The InChIKey is FPMYVNAJKFUJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N5O/c25-17-8-1-14(2-9-17)3-10-18-21(15-4-6-16(7-5-15)24(26,27)28)32-33(22(18)34)23-30-19-11-12-29-13-20(19)31-23/h1-2,4-9,11-13,32H,3,10H2,(H,30,31).
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one?
4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one has a molecular weight of 467.43 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]-2-(3H-imidazo[4,5-c]pyridin-2-yl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 146569062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).