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

C22H20N4O3 — CID 46226635

IUPAC3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ccncc21
InChIInChI=1S/C22H20N4O3/c27-20(24-19-12-18(25-26-19)14-4-2-1-3-5-14)15-6-9-22(10-7-15)17-8-11-23-13-16(17)21(28)29-22/h1-5,8,11-13,15H,6-7,9-10H2,(H2,24,25,26,27)
InChIKeyKXLDSWYFKKSLKO-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.67
Rot. Bonds3

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

3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide (PubChem CID 46226635) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide.

Molecular Properties

Compound Name3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide
PubChem CID46226635
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ccncc21
InChIInChI=1S/C22H20N4O3/c27-20(24-19-12-18(25-26-19)14-4-2-1-3-5-14)15-6-9-22(10-7-15)17-8-11-23-13-16(17)21(28)29-22/h1-5,8,11-13,15H,6-7,9-10H2,(H2,24,25,26,27)
InChIKeyKXLDSWYFKKSLKO-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 3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide?
The IUPAC name of 3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide (CID 46226635) is 3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide.
What is the SMILES notation for 3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide?
The canonical SMILES for 3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide is O=C1OC2(CCC(C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ccncc21.
What is the InChIKey of 3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide?
The InChIKey is KXLDSWYFKKSLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-20(24-19-12-18(25-26-19)14-4-2-1-3-5-14)15-6-9-22(10-7-15)17-8-11-23-13-16(17)21(28)29-22/h1-5,8,11-13,15H,6-7,9-10H2,(H2,24,25,26,27).
What are the key properties of 3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide?
3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]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 3'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide is sourced from PubChem (CID 46226635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).