N-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine

C28H24FN7 — CID 123784625

IUPACN-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine
SMILESC=Cc1c(-c2cncc(-c3cnn(CCn4cccn4)c3)c2)cc(-c2ccccc2F)nc1N=CC
InChIInChI=1S/C28H24FN7/c1-3-23-25(15-27(34-28(23)31-4-2)24-8-5-6-9-26(24)29)21-14-20(16-30-17-21)22-18-33-36(19-22)13-12-35-11-7-10-32-35/h3-11,14-19H,1,12-13H2,2H3
InChIKeyRBUYEWONCWXVAN-UHFFFAOYSA-N
MW477.55 g/mol
LogP6.08
Rot. Bonds8

About N-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine

N-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine (PubChem CID 123784625) has the molecular formula C28H24FN7 and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound NameN-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine
PubChem CID123784625
Molecular FormulaC28H24FN7
Molecular Weight477.55 g/mol
Exact Mass477.21
IUPAC NameN-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine
SMILESC=Cc1c(-c2cncc(-c3cnn(CCn4cccn4)c3)c2)cc(-c2ccccc2F)nc1N=CC
InChIInChI=1S/C28H24FN7/c1-3-23-25(15-27(34-28(23)31-4-2)24-8-5-6-9-26(24)29)21-14-20(16-30-17-21)22-18-33-36(19-22)13-12-35-11-7-10-32-35/h3-11,14-19H,1,12-13H2,2H3
InChIKeyRBUYEWONCWXVAN-UHFFFAOYSA-N
XLogP6.08
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 46866319
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
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6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
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2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
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CID 9858084
Dihydropyrrolopyrazole, 7d
CID 9946092
2-(4-(4-Fluorophenyl)-5-(1h-Pyrrol-1-Yl)-1h-Pyrazol-1-Yl)-N,N-Dimethylethanamine
CID 71306441

Frequently Asked Questions

What is the IUPAC name of N-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine?
The IUPAC name of N-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine (CID 123784625) is N-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for N-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine?
The canonical SMILES for N-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine is C=Cc1c(-c2cncc(-c3cnn(CCn4cccn4)c3)c2)cc(-c2ccccc2F)nc1N=CC.
What is the InChIKey of N-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine?
The InChIKey is RBUYEWONCWXVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7/c1-3-23-25(15-27(34-28(23)31-4-2)24-8-5-6-9-26(24)29)21-14-20(16-30-17-21)22-18-33-36(19-22)13-12-35-11-7-10-32-35/h3-11,14-19H,1,12-13H2,2H3.
What are the key properties of N-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine?
N-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine has a molecular weight of 477.55 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethenyl-6-(2-fluorophenyl)-4-[5-[1-(2-pyrazol-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 123784625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).