3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C23H18F3N5O — CID 163633411

IUPAC3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC/C=C\c1cnc2ccc(-c3cnn4c3C(=O)N(c3ccc(C(F)(F)F)cc3)CC4)cn12
InChIInChI=1S/C23H18F3N5O/c1-2-3-18-12-27-20-9-4-15(14-30(18)20)19-13-28-31-11-10-29(22(32)21(19)31)17-7-5-16(6-8-17)23(24,25)26/h2-9,12-14H,10-11H2,1H3/b3-2-
InChIKeyHYAVGTIVYSJHCQ-IHWYPQMZSA-N
MW437.43 g/mol
LogP4.91
Rot. Bonds3

About 3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163633411) has the molecular formula C23H18F3N5O and a molecular weight of 437.43 g/mol. Its IUPAC name is 3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID163633411
Molecular FormulaC23H18F3N5O
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC/C=C\c1cnc2ccc(-c3cnn4c3C(=O)N(c3ccc(C(F)(F)F)cc3)CC4)cn12
InChIInChI=1S/C23H18F3N5O/c1-2-3-18-12-27-20-9-4-15(14-30(18)20)19-13-28-31-11-10-29(22(32)21(19)31)17-7-5-16(6-8-17)23(24,25)26/h2-9,12-14H,10-11H2,1H3/b3-2-
InChIKeyHYAVGTIVYSJHCQ-IHWYPQMZSA-N
XLogP4.91
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 163633411) is 3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C/C=C\c1cnc2ccc(-c3cnn4c3C(=O)N(c3ccc(C(F)(F)F)cc3)CC4)cn12.
What is the InChIKey of 3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HYAVGTIVYSJHCQ-IHWYPQMZSA-N. The full InChI is InChI=1S/C23H18F3N5O/c1-2-3-18-12-27-20-9-4-15(14-30(18)20)19-13-28-31-11-10-29(22(32)21(19)31)17-7-5-16(6-8-17)23(24,25)26/h2-9,12-14H,10-11H2,1H3/b3-2-.
What are the key properties of 3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 437.43 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(Z)-prop-1-enyl]imidazo[1,2-a]pyridin-6-yl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163633411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).