1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide

C23H20N4O3 — CID 46226580

IUPAC1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cnccc21
InChIInChI=1S/C23H20N4O3/c28-21(27-20-14-25-19(13-26-20)15-4-2-1-3-5-15)16-6-9-23(10-7-16)18-12-24-11-8-17(18)22(29)30-23/h1-5,8,11-14,16H,6-7,9-10H2,(H,26,27,28)
InChIKeyPFQMQZUBTCVKMM-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.73
Rot. Bonds3

About 1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide

1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (PubChem CID 46226580) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.

Molecular Properties

Compound Name1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
PubChem CID46226580
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cnccc21
InChIInChI=1S/C23H20N4O3/c28-21(27-20-14-25-19(13-26-20)15-4-2-1-3-5-15)16-6-9-23(10-7-16)18-12-24-11-8-17(18)22(29)30-23/h1-5,8,11-14,16H,6-7,9-10H2,(H,26,27,28)
InChIKeyPFQMQZUBTCVKMM-UHFFFAOYSA-N
XLogP3.73
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The IUPAC name of 1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (CID 46226580) is 1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.
What is the SMILES notation for 1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The canonical SMILES for 1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is O=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cnccc21.
What is the InChIKey of 1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The InChIKey is PFQMQZUBTCVKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-21(27-20-14-25-19(13-26-20)15-4-2-1-3-5-15)16-6-9-23(10-7-16)18-12-24-11-8-17(18)22(29)30-23/h1-5,8,11-14,16H,6-7,9-10H2,(H,26,27,28).
What are the key properties of 1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is sourced from PubChem (CID 46226580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).