1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide

C28H25N5O2 — CID 46173044

IUPAC1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C28H25N5O2/c34-28(29-22-10-5-2-6-11-22)21-13-15-32(16-14-21)27-19-24(25-12-7-17-35-25)30-26-18-23(31-33(26)27)20-8-3-1-4-9-20/h1-12,17-19,21H,13-16H2,(H,29,34)
InChIKeyAYHARBJBXKUBCX-UHFFFAOYSA-N
MW463.54 g/mol
LogP5.51
Rot. Bonds5

About 1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide

1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide (PubChem CID 46173044) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide
PubChem CID46173044
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC Name1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C28H25N5O2/c34-28(29-22-10-5-2-6-11-22)21-13-15-32(16-14-21)27-19-24(25-12-7-17-35-25)30-26-18-23(31-33(26)27)20-8-3-1-4-9-20/h1-12,17-19,21H,13-16H2,(H,29,34)
InChIKeyAYHARBJBXKUBCX-UHFFFAOYSA-N
XLogP5.51
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide (CID 46173044) is 1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1.
What is the InChIKey of 1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is AYHARBJBXKUBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c34-28(29-22-10-5-2-6-11-22)21-13-15-32(16-14-21)27-19-24(25-12-7-17-35-25)30-26-18-23(31-33(26)27)20-8-3-1-4-9-20/h1-12,17-19,21H,13-16H2,(H,29,34).
What are the key properties of 1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide?
1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 46173044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).