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

C23H20N4O3 — CID 46226627

IUPAC3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccncc21
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)18-8-11-24-12-17(18)22(29)30-23/h1-5,8,11-14,16H,6-7,9-10H2,(H,26,27,28)
InChIKeyIKNKRWFBAPZVTP-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.73
Rot. Bonds3

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

3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide (PubChem CID 46226627) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide.

Molecular Properties

Compound Name3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide
PubChem CID46226627
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccncc21
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)18-8-11-24-12-17(18)22(29)30-23/h1-5,8,11-14,16H,6-7,9-10H2,(H,26,27,28)
InChIKeyIKNKRWFBAPZVTP-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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Related Compounds

1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
CID 11349780
Ethyl 4-[3-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-5-pyridin-4-yltriazol-4-yl]benzoate
CID 134131920
1-Methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea
CID 57404430
trans-N-(5-(3-fluorophenyl)pyrimidin-2-yl)-3''-oxo-3''H-spiro[cyclohexane-1,1''-furo[3,4-c]pyridine]-4-carboxamide
CID 9802118
trans-N-(5-(2-fluorophenyl)pyrimidin-2-yl)-3''-oxo-3''H-spiro[cyclohexane-1,1''-furo[3,4-c]pyridine]-4-carboxamide
CID 9802119
3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
CID 9887225
trans-3-Oxo-N-(5-phenylpyrazin-2-yl)-3H-spiro[4-aza-2-benzofuran-1,1''-cyclohexane]-4''-carboxamide
CID 9887226
3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 9908890
trans-3''-oxo-N-(5-phenylpyrimidin-2-yl)-3''H-spiro[cyclohexane-1,1''-furo[3,4-c]pyridine]-4-carboxamide
CID 9908946
trans-3-Oxo-N-(5-phenylpyrimidin-2-yl)-3H-spiro[4-aza-2-benzofuran-1,1''-cyclohexane]-4''-carboxamide
CID 9930851
trans-1''-oxo-N-(5-phenylpyrimidin-2-yl)-1''H-spiro[cyclohexane-1,3''-furo[3,4-c]pyridine]-4-carboxamide
CID 9952815
trans-N-(5-(3-(fluoromethyl)phenyl)pyrimidin-2-yl)-1''-oxo-1''H-spiro[cyclohexane-1,3''-furo[3,4-c]pyridine]-4-carboxamide
CID 11224238

Frequently Asked Questions

What is the IUPAC name of 3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide?
The IUPAC name of 3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide (CID 46226627) is 3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide.
What is the SMILES notation for 3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide?
The canonical SMILES for 3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide is O=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccncc21.
What is the InChIKey of 3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide?
The InChIKey is IKNKRWFBAPZVTP-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)18-8-11-24-12-17(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 3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide?
3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-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 3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide is sourced from PubChem (CID 46226627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).