7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide

C22H20N4O3 — CID 46226606

IUPAC7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cccnc21
InChIInChI=1S/C22H20N4O3/c27-20(24-18-13-17(25-26-18)14-5-2-1-3-6-14)15-8-10-22(11-9-15)16-7-4-12-23-19(16)21(28)29-22/h1-7,12-13,15H,8-11H2,(H2,24,25,26,27)
InChIKeyBJVKVLNTJRCSND-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.67
Rot. Bonds3

About 7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide

7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide (PubChem CID 46226606) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide.

Molecular Properties

Compound Name7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
PubChem CID46226606
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cccnc21
InChIInChI=1S/C22H20N4O3/c27-20(24-18-13-17(25-26-18)14-5-2-1-3-6-14)15-8-10-22(11-9-15)16-7-4-12-23-19(16)21(28)29-22/h1-7,12-13,15H,8-11H2,(H2,24,25,26,27)
InChIKeyBJVKVLNTJRCSND-UHFFFAOYSA-N
XLogP3.67
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The IUPAC name of 7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide (CID 46226606) is 7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide.
What is the SMILES notation for 7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The canonical SMILES for 7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide is O=C1OC2(CCC(C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cccnc21.
What is the InChIKey of 7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The InChIKey is BJVKVLNTJRCSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-20(24-18-13-17(25-26-18)14-5-2-1-3-6-14)15-8-10-22(11-9-15)16-7-4-12-23-19(16)21(28)29-22/h1-7,12-13,15H,8-11H2,(H2,24,25,26,27).
What are the key properties of 7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide is sourced from PubChem (CID 46226606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).