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

C22H19FN4O3 — CID 46226607

IUPACN-[1-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3ccn(-c4cccc(F)c4)n3)CC2)c2cnccc21
InChIInChI=1S/C22H19FN4O3/c23-15-2-1-3-16(12-15)27-11-7-19(26-27)25-20(28)14-4-8-22(9-5-14)18-13-24-10-6-17(18)21(29)30-22/h1-3,6-7,10-14H,4-5,8-9H2,(H,25,26,28)
InChIKeyNKESGRXRDZCMNV-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.60
Rot. Bonds3

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

N-[1-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (PubChem CID 46226607) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
PubChem CID46226607
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC NameN-[1-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3ccn(-c4cccc(F)c4)n3)CC2)c2cnccc21
InChIInChI=1S/C22H19FN4O3/c23-15-2-1-3-16(12-15)27-11-7-19(26-27)25-20(28)14-4-8-22(9-5-14)18-13-24-10-6-17(18)21(29)30-22/h1-3,6-7,10-14H,4-5,8-9H2,(H,25,26,28)
InChIKeyNKESGRXRDZCMNV-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (CID 46226607) is N-[1-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is O=C1OC2(CCC(C(=O)Nc3ccn(-c4cccc(F)c4)n3)CC2)c2cnccc21.
What is the InChIKey of N-[1-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The InChIKey is NKESGRXRDZCMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c23-15-2-1-3-16(12-15)27-11-7-19(26-27)25-20(28)14-4-8-22(9-5-14)18-13-24-10-6-17(18)21(29)30-22/h1-3,6-7,10-14H,4-5,8-9H2,(H,25,26,28).
What are the key properties of N-[1-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
N-[1-(3-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-(3-fluorophenyl)pyrazol-3-yl]-1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is sourced from PubChem (CID 46226607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).