1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone

C22H18FN5O — CID 147863528

IUPAC1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cnn4c3CNCC4)ncc2cn1)c1ccc(F)cc1
InChIInChI=1S/C22H18FN5O/c23-17-3-1-14(2-4-17)22(29)9-18-7-15-8-20(26-11-16(15)10-25-18)19-12-27-28-6-5-24-13-21(19)28/h1-4,7-8,10-12,24H,5-6,9,13H2
InChIKeyHXEGWQUKKVUOMV-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.16
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone

1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 147863528) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID147863528
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESO=C(Cc1cc2cc(-c3cnn4c3CNCC4)ncc2cn1)c1ccc(F)cc1
InChIInChI=1S/C22H18FN5O/c23-17-3-1-14(2-4-17)22(29)9-18-7-15-8-20(26-11-16(15)10-25-18)19-12-27-28-6-5-24-13-21(19)28/h1-4,7-8,10-12,24H,5-6,9,13H2
InChIKeyHXEGWQUKKVUOMV-UHFFFAOYSA-N
XLogP3.16
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone (CID 147863528) is 1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone is O=C(Cc1cc2cc(-c3cnn4c3CNCC4)ncc2cn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is HXEGWQUKKVUOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-17-3-1-14(2-4-17)22(29)9-18-7-15-8-20(26-11-16(15)10-25-18)19-12-27-28-6-5-24-13-21(19)28/h1-4,7-8,10-12,24H,5-6,9,13H2.
What are the key properties of 1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone?
1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 387.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 147863528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).