furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

C26H22N6O2 — CID 44968159

IUPACfuran-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccncc4)nn23)CC1
InChIInChI=1S/C26H22N6O2/c33-26(21-8-15-34-18-21)31-13-11-30(12-14-31)25-17-22(19-4-2-1-3-5-19)28-24-16-23(29-32(24)25)20-6-9-27-10-7-20/h1-10,15-18H,11-14H2
InChIKeyXXCWHQXPLDWYTG-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.01
Rot. Bonds4

About furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 44968159) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
PubChem CID44968159
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Namefuran-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccncc4)nn23)CC1
InChIInChI=1S/C26H22N6O2/c33-26(21-8-15-34-18-21)31-13-11-30(12-14-31)25-17-22(19-4-2-1-3-5-19)28-24-16-23(29-32(24)25)20-6-9-27-10-7-20/h1-10,15-18H,11-14H2
InChIKeyXXCWHQXPLDWYTG-UHFFFAOYSA-N
XLogP4.01
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 44968159) is furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is O=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccncc4)nn23)CC1.
What is the InChIKey of furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The InChIKey is XXCWHQXPLDWYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c33-26(21-8-15-34-18-21)31-13-11-30(12-14-31)25-17-22(19-4-2-1-3-5-19)28-24-16-23(29-32(24)25)20-6-9-27-10-7-20/h1-10,15-18H,11-14H2.
What are the key properties of furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 450.50 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 44968159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).