3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium

C25H19F2FmN4O3- — CID 162596298

IUPAC3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium
SMILESO=C1NCCn2nc(-c3ccncc3)c(-c3ccc(OCc4ccc(O[C-](F)F)cc4)cc3)c21.[Fm]
InChIInChI=1S/C25H19F2N4O3.Fm/c26-25(27)34-20-5-1-16(2-6-20)15-33-19-7-3-17(4-8-19)21-22(18-9-11-28-12-10-18)30-31-14-13-29-24(32)23(21)31;/h1-12H,13-15H2,(H,29,32);/q-1;
InChIKeyOPAYGAPEGWADKE-UHFFFAOYSA-N
MW718.45 g/mol
LogP4.70
Rot. Bonds7

About 3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium

3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium (PubChem CID 162596298) has the molecular formula C25H19F2FmN4O3- and a molecular weight of 718.45 g/mol. Its IUPAC name is 3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium.

Molecular Properties

Compound Name3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium
PubChem CID162596298
Molecular FormulaC25H19F2FmN4O3-
Molecular Weight718.45 g/mol
Exact Mass718.24
IUPAC Name3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium
SMILESO=C1NCCn2nc(-c3ccncc3)c(-c3ccc(OCc4ccc(O[C-](F)F)cc4)cc3)c21.[Fm]
InChIInChI=1S/C25H19F2N4O3.Fm/c26-25(27)34-20-5-1-16(2-6-20)15-33-19-7-3-17(4-8-19)21-22(18-9-11-28-12-10-18)30-31-14-13-29-24(32)23(21)31;/h1-12H,13-15H2,(H,29,32);/q-1;
InChIKeyOPAYGAPEGWADKE-UHFFFAOYSA-N
XLogP4.70
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500718.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[[4-(4-oxo-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl)phenoxy]methyl]benzonitrile
CID 118408082
3-[4-[(3-methoxy-4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118408431
3-[4-(3-phenylprop-2-ynoxy)phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118408153
ethane;5-methyl-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 144930548
5-(2-hydroxyethyl)-2-pyridin-4-yl-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118408324
2-pyridin-4-yl-3-[4-(pyridin-4-ylmethoxy)phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 176514670
2-[4-oxo-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid
CID 129257861
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 140792058
5-(2-hydroxyethyl)-3-[4-[[4-(1-hydroxypropan-2-yl)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118408122
tert-butyl 4-oxo-3-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-5-carboxylate
CID 118408001
3-[4-[(4-cyclopropylphenyl)methoxy]phenyl]-5-(2-hydroxypropyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118408333
3-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118408190

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium?
The IUPAC name of 3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium (CID 162596298) is 3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium.
What is the SMILES notation for 3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium?
The canonical SMILES for 3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium is O=C1NCCn2nc(-c3ccncc3)c(-c3ccc(OCc4ccc(O[C-](F)F)cc4)cc3)c21.[Fm].
What is the InChIKey of 3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium?
The InChIKey is OPAYGAPEGWADKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N4O3.Fm/c26-25(27)34-20-5-1-16(2-6-20)15-33-19-7-3-17(4-8-19)21-22(18-9-11-28-12-10-18)30-31-14-13-29-24(32)23(21)31;/h1-12H,13-15H2,(H,29,32);/q-1;.
What are the key properties of 3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium?
3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium has a molecular weight of 718.45 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(difluoromethoxy)phenyl]methoxy]phenyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;fermium is sourced from PubChem (CID 162596298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).