N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide

C22H19FN4O3 — CID 11491176

IUPACN-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21
InChIInChI=1S/C22H19FN4O3/c23-17-3-1-2-4-18(17)27-12-8-19(26-27)25-20(28)14-5-9-22(10-6-14)16-13-24-11-7-15(16)21(29)30-22/h1-4,7-8,11-14H,5-6,9-10H2,(H,25,26,28)
InChIKeyRMYZIRFUCOMQRH-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.60
Rot. Bonds3

About N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide

N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (PubChem CID 11491176) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
PubChem CID11491176
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC NameN-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21
InChIInChI=1S/C22H19FN4O3/c23-17-3-1-2-4-18(17)27-12-8-19(26-27)25-20(28)14-5-9-22(10-6-14)16-13-24-11-7-15(16)21(29)30-22/h1-4,7-8,11-14H,5-6,9-10H2,(H,25,26,28)
InChIKeyRMYZIRFUCOMQRH-UHFFFAOYSA-N
XLogP3.60
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.60
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
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-[1-(2-Fluorophenyl)pyrazol-3-yl]-1-methyl-1-(3-oxospiro[2-benzofuran-1,4'-cyclohexane]-1'-yl)urea
CID 70685339
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-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
trans-3-Oxo-N-(1-phenyl-1H-pyrazol-3-yl)-3H-spiro[6-aza-2-benzofuran-1,1''-cyclohexane]-4''-carboxamide
CID 15940921
N-[5-(3-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
CID 9953802
N-[5-(2-fluorophenyl)pyrimidin-2-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
CID 11633103
3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
CID 44583556

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (CID 11491176) is N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is O=C1OC2(CCC(C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21.
What is the InChIKey of N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The InChIKey is RMYZIRFUCOMQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c23-17-3-1-2-4-18(17)27-12-8-19(26-27)25-20(28)14-5-9-22(10-6-14)16-13-24-11-7-15(16)21(29)30-22/h1-4,7-8,11-14H,5-6,9-10H2,(H,25,26,28).
What are the key properties of N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is sourced from PubChem (CID 11491176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).