4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one

C23H18FN5O2 — CID 10387138

IUPAC4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one
SMILESO=C1OC2(CCC(c3nc4ncc(-c5ccc(F)cc5)nc4[nH]3)CC2)c2cnccc21
InChIInChI=1S/C23H18FN5O2/c24-15-3-1-13(2-4-15)18-12-26-20-21(27-18)29-19(28-20)14-5-8-23(9-6-14)17-11-25-10-7-16(17)22(30)31-23/h1-4,7,10-12,14H,5-6,8-9H2,(H,26,27,28,29)
InChIKeyXOZHWEBNSABYLG-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.28
Rot. Bonds2

About 4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one

4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one (PubChem CID 10387138) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one
PubChem CID10387138
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one
SMILESO=C1OC2(CCC(c3nc4ncc(-c5ccc(F)cc5)nc4[nH]3)CC2)c2cnccc21
InChIInChI=1S/C23H18FN5O2/c24-15-3-1-13(2-4-15)18-12-26-20-21(27-18)29-19(28-20)14-5-8-23(9-6-14)17-11-25-10-7-16(17)22(30)31-23/h1-4,7,10-12,14H,5-6,8-9H2,(H,26,27,28,29)
InChIKeyXOZHWEBNSABYLG-UHFFFAOYSA-N
XLogP4.28
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one?
The IUPAC name of 4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one (CID 10387138) is 4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one is O=C1OC2(CCC(c3nc4ncc(-c5ccc(F)cc5)nc4[nH]3)CC2)c2cnccc21.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one?
The InChIKey is XOZHWEBNSABYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c24-15-3-1-13(2-4-15)18-12-26-20-21(27-18)29-19(28-20)14-5-8-23(9-6-14)17-11-25-10-7-16(17)22(30)31-23/h1-4,7,10-12,14H,5-6,8-9H2,(H,26,27,28,29).
What are the key properties of 4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one?
4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one has a molecular weight of 415.43 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyrazin-2-yl]spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one is sourced from PubChem (CID 10387138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).