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

C21H19N5O3 — CID 11349780

IUPAC1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3cnn(-c4ccccc4)n3)CC2)c2cnccc21
InChIInChI=1S/C21H19N5O3/c27-19(24-18-13-23-26(25-18)15-4-2-1-3-5-15)14-6-9-21(10-7-14)17-12-22-11-8-16(17)20(28)29-21/h1-5,8,11-14H,6-7,9-10H2,(H,24,25,27)
InChIKeyLKMBZBSOJLVTSZ-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.86
Rot. Bonds3

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

1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (PubChem CID 11349780) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.

Molecular Properties

Compound Name1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
PubChem CID11349780
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3cnn(-c4ccccc4)n3)CC2)c2cnccc21
InChIInChI=1S/C21H19N5O3/c27-19(24-18-13-23-26(25-18)15-4-2-1-3-5-15)14-6-9-21(10-7-14)17-12-22-11-8-16(17)20(28)29-21/h1-5,8,11-14H,6-7,9-10H2,(H,24,25,27)
InChIKeyLKMBZBSOJLVTSZ-UHFFFAOYSA-N
XLogP2.86
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

MK-0557
CID 11491176
trans-N-[1-(3-Fluorophenyl)-1H-pyrazol-3-yl]-3-oxo-3Hspiro[6-aza-2-benzofuran-1,1''-cyclohexane]-4''-carboxamide
CID 11407098
3-[1-(2-Fluorophenyl)pyrazol-3-yl]-1-methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)urea
CID 70681111
3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
CID 9908890
trans-3-Oxo-N-(1-phenyl-1H-pyrazol-3-yl)-3H-spiro[4-aza-2-benzofuran-1,1''-cyclohexane]-4''-carboxamide
CID 9952231
trans-3-Oxo-N-(1-phenyl-1H-pyrazol-4-yl)-3H-spiro[4-aza-2-benzofuran-1,1''-cyclohexane]-4''-carboxamide
CID 9952232
trans-3-Oxo-N-(1-phenyl-1H-pyrazol-3-yl)-3H-spiro[6-aza-2-benzofuran-1,1''-cyclohexane]-4''-carboxamide
CID 15940921
1'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
CID 46226580
7'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
CID 46226606
N-[1-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
CID 46226607
1'-oxo-N-(5-phenyl-1H-pyrazol-3-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
CID 46226612
3'-oxo-N-(5-phenylpyrazin-2-yl)spiro[cyclohexane-4,1'-furo[3,4-c]pyridine]-1-carboxamide
CID 46226627

Frequently Asked Questions

What is the IUPAC name of 1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The IUPAC name of 1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (CID 11349780) is 1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.
What is the SMILES notation for 1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The canonical SMILES for 1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is O=C1OC2(CCC(C(=O)Nc3cnn(-c4ccccc4)n3)CC2)c2cnccc21.
What is the InChIKey of 1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The InChIKey is LKMBZBSOJLVTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c27-19(24-18-13-23-26(25-18)15-4-2-1-3-5-15)14-6-9-21(10-7-14)17-12-22-11-8-16(17)20(28)29-21/h1-5,8,11-14H,6-7,9-10H2,(H,24,25,27).
What are the key properties of 1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-oxo-N-(2-phenyltriazol-4-yl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is sourced from PubChem (CID 11349780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).