4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one

C21H17FN6O3 — CID 163634841

IUPAC4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one
SMILESNc1nonc1-c1nc2cc(F)ccc2n1C1CCC2(CC1)OC(=O)c1ncccc12
InChIInChI=1S/C21H17FN6O3/c22-11-3-4-15-14(10-11)25-19(17-18(23)27-31-26-17)28(15)12-5-7-21(8-6-12)13-2-1-9-24-16(13)20(29)30-21/h1-4,9-10,12H,5-8H2,(H2,23,27)
InChIKeyHZEWWWYQCAAMJC-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.38
Rot. Bonds2

About 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one (PubChem CID 163634841) has the molecular formula C21H17FN6O3 and a molecular weight of 420.40 g/mol. Its IUPAC name is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one.

Molecular Properties

Compound Name4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one
PubChem CID163634841
Molecular FormulaC21H17FN6O3
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC Name4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one
SMILESNc1nonc1-c1nc2cc(F)ccc2n1C1CCC2(CC1)OC(=O)c1ncccc12
InChIInChI=1S/C21H17FN6O3/c22-11-3-4-15-14(10-11)25-19(17-18(23)27-31-26-17)28(15)12-5-7-21(8-6-12)13-2-1-9-24-16(13)20(29)30-21/h1-4,9-10,12H,5-8H2,(H2,23,27)
InChIKeyHZEWWWYQCAAMJC-UHFFFAOYSA-N
XLogP3.38
TPSA121.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one with MolForge

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Related Compounds

4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 62807137
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484
ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79480035
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)pyrazin-2-amine
CID 63261925
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 54595254
[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324618
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
N-[1-(3,5-difluorophenyl)imidazol-4-yl]-7'-oxospiro[cyclohexane-4,5'-furo[3,4-b]pyridine]-1-carboxamide
CID 11704524
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785646
2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline
CID 107812783
4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861697
4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397633

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one?
The IUPAC name of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one (CID 163634841) is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one.
What is the SMILES notation for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one?
The canonical SMILES for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one is Nc1nonc1-c1nc2cc(F)ccc2n1C1CCC2(CC1)OC(=O)c1ncccc12.
What is the InChIKey of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one?
The InChIKey is HZEWWWYQCAAMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O3/c22-11-3-4-15-14(10-11)25-19(17-18(23)27-31-26-17)28(15)12-5-7-21(8-6-12)13-2-1-9-24-16(13)20(29)30-21/h1-4,9-10,12H,5-8H2,(H2,23,27).
What are the key properties of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one?
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one has a molecular weight of 420.40 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-5-fluorobenzimidazol-1-yl]spiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one is sourced from PubChem (CID 163634841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).