[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone

C20H18N6O3 — CID 71797836

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(C(=O)c2cnn3ccccc23)CC1
InChIInChI=1S/C20H18N6O3/c27-19(14-13-21-26-6-2-1-4-17(14)26)24-7-9-25(10-8-24)20(28)16-12-15(22-23-16)18-5-3-11-29-18/h1-6,11-13H,7-10H2,(H,22,23)
InChIKeyKKLZPPPBRYPEGY-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.92
Rot. Bonds3

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 71797836) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
PubChem CID71797836
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCN(C(=O)c2cnn3ccccc23)CC1
InChIInChI=1S/C20H18N6O3/c27-19(14-13-21-26-6-2-1-4-17(14)26)24-7-9-25(10-8-24)20(28)16-12-15(22-23-16)18-5-3-11-29-18/h1-6,11-13H,7-10H2,(H,22,23)
InChIKeyKKLZPPPBRYPEGY-UHFFFAOYSA-N
XLogP1.92
TPSA99.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone (CID 71797836) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(C(=O)c2cnn3ccccc23)CC1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is KKLZPPPBRYPEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c27-19(14-13-21-26-6-2-1-4-17(14)26)24-7-9-25(10-8-24)20(28)16-12-15(22-23-16)18-5-3-11-29-18/h1-6,11-13H,7-10H2,(H,22,23).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 390.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71797836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).