N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide

C22H18F2N4O3 — CID 11704524

IUPACN-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3cn(-c4cc(F)cc(F)c4)cn3)CC2)c2cccnc21
InChIInChI=1S/C22H18F2N4O3/c23-14-8-15(24)10-16(9-14)28-11-18(26-12-28)27-20(29)13-3-5-22(6-4-13)17-2-1-7-25-19(17)21(30)31-22/h1-2,7-13H,3-6H2,(H,27,29)
InChIKeyIWKVNHIJNRVMSO-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.74
Rot. Bonds3

About N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide

N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide (PubChem CID 11704524) has the molecular formula C22H18F2N4O3 and a molecular weight of 424.41 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
PubChem CID11704524
Molecular FormulaC22H18F2N4O3
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC NameN-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3cn(-c4cc(F)cc(F)c4)cn3)CC2)c2cccnc21
InChIInChI=1S/C22H18F2N4O3/c23-14-8-15(24)10-16(9-14)28-11-18(26-12-28)27-20(29)13-3-5-22(6-4-13)17-2-1-7-25-19(17)21(30)31-22/h1-2,7-13H,3-6H2,(H,27,29)
InChIKeyIWKVNHIJNRVMSO-UHFFFAOYSA-N
XLogP3.74
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide (CID 11704524) is N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide is O=C1OC2(CCC(C(=O)Nc3cn(-c4cc(F)cc(F)c4)cn3)CC2)c2cccnc21.
What is the InChIKey of N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
The InChIKey is IWKVNHIJNRVMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3/c23-14-8-15(24)10-16(9-14)28-11-18(26-12-28)27-20(29)13-3-5-22(6-4-13)17-2-1-7-25-19(17)21(30)31-22/h1-2,7-13H,3-6H2,(H,27,29).
What are the key properties of N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide?
N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide has a molecular weight of 424.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide is sourced from PubChem (CID 11704524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).