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

C22H20N4O3 — CID 15940921

IUPAC1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21
InChIInChI=1S/C22H20N4O3/c27-20(24-19-9-13-26(25-19)16-4-2-1-3-5-16)15-6-10-22(11-7-15)18-14-23-12-8-17(18)21(28)29-22/h1-5,8-9,12-15H,6-7,10-11H2,(H,24,25,27)
InChIKeyRVLHZDSBPUFJHK-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.46
Rot. Bonds3

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

1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (PubChem CID 15940921) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.

Molecular Properties

Compound Name1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
PubChem CID15940921
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21
InChIInChI=1S/C22H20N4O3/c27-20(24-19-9-13-26(25-19)16-4-2-1-3-5-16)15-6-10-22(11-7-15)18-14-23-12-8-17(18)21(28)29-22/h1-5,8-9,12-15H,6-7,10-11H2,(H,24,25,27)
InChIKeyRVLHZDSBPUFJHK-UHFFFAOYSA-N
XLogP3.46
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The IUPAC name of 1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (CID 15940921) is 1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.
What is the SMILES notation for 1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The canonical SMILES for 1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is O=C1OC2(CCC(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21.
What is the InChIKey of 1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The InChIKey is RVLHZDSBPUFJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-20(24-19-9-13-26(25-19)16-4-2-1-3-5-16)15-6-10-22(11-7-15)18-14-23-12-8-17(18)21(28)29-22/h1-5,8-9,12-15H,6-7,10-11H2,(H,24,25,27).
What are the key properties of 1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-oxo-N-(1-phenylpyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is sourced from PubChem (CID 15940921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).