1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one

C22H17FN4O2 — CID 170327426

IUPAC1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCn2nc(-c3ccc(F)c4ccoc34)c(-c3ccncc3)c2C1
InChIInChI=1S/C22H17FN4O2/c1-2-19(28)26-10-11-27-18(13-26)20(14-5-8-24-9-6-14)21(25-27)16-3-4-17(23)15-7-12-29-22(15)16/h2-9,12H,1,10-11,13H2
InChIKeyZUKZVYRVVVEQCV-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.03
Rot. Bonds3

About 1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one

1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one (PubChem CID 170327426) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
PubChem CID170327426
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCn2nc(-c3ccc(F)c4ccoc34)c(-c3ccncc3)c2C1
InChIInChI=1S/C22H17FN4O2/c1-2-19(28)26-10-11-27-18(13-26)20(14-5-8-24-9-6-14)21(25-27)16-3-4-17(23)15-7-12-29-22(15)16/h2-9,12H,1,10-11,13H2
InChIKeyZUKZVYRVVVEQCV-UHFFFAOYSA-N
XLogP4.03
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(difluoromethoxy)phenyl]-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 170327407
1-[3-pyridin-4-yl-2-[4-(trifluoromethyl)anilino]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 170327347
1-[2-(4-chloro-2-fluorophenyl)-7-phenyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 177001879
(E)-1-[2-[4-chloro-2-(hydroxymethyl)phenyl]-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-(dimethylamino)but-2-en-1-one
CID 170327396
1-[2-(4-chloro-2-fluorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 170567982
(E)-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-(methylamino)but-2-en-1-one
CID 170327404
N-[4-[2-(4-fluorophenyl)-5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 170327423
1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]but-2-yn-1-one
CID 170327905
1-[2-(2-fluoro-4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 170327569
1-[2-(4-fluorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 170327502
1-[2-(4-chlorophenyl)-7-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 170328173
(E)-1-[2-(3,4-dichlorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-4-(dimethylamino)but-2-en-1-one
CID 170327848

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one?
The IUPAC name of 1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one (CID 170327426) is 1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one?
The canonical SMILES for 1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one is C=CC(=O)N1CCn2nc(-c3ccc(F)c4ccoc34)c(-c3ccncc3)c2C1.
What is the InChIKey of 1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one?
The InChIKey is ZUKZVYRVVVEQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c1-2-19(28)26-10-11-27-18(13-26)20(14-5-8-24-9-6-14)21(25-27)16-3-4-17(23)15-7-12-29-22(15)16/h2-9,12H,1,10-11,13H2.
What are the key properties of 1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one?
1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one has a molecular weight of 388.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-1-benzofuran-7-yl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one is sourced from PubChem (CID 170327426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).