N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide

C30H22FN5O — CID 144667577

IUPACN-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cncc(-c2ccc3c(c2)=C(c2nc4c(-c5ccc(F)cc5)cccc4[nH]2)N=3)c1)C1CCC1
InChIInChI=1S/C30H22FN5O/c31-21-10-7-17(8-11-21)23-5-2-6-26-27(23)36-29(35-26)28-24-14-19(9-12-25(24)34-28)20-13-22(16-32-15-20)33-30(37)18-3-1-4-18/h2,5-16,18H,1,3-4H2,(H,33,37)(H,35,36)
InChIKeyMSSZBYABWCRASZ-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.96
Rot. Bonds5

About N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide

N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 144667577) has the molecular formula C30H22FN5O and a molecular weight of 487.54 g/mol. Its IUPAC name is N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide
PubChem CID144667577
Molecular FormulaC30H22FN5O
Molecular Weight487.54 g/mol
Exact Mass487.18
IUPAC NameN-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1cncc(-c2ccc3c(c2)=C(c2nc4c(-c5ccc(F)cc5)cccc4[nH]2)N=3)c1)C1CCC1
InChIInChI=1S/C30H22FN5O/c31-21-10-7-17(8-11-21)23-5-2-6-26-27(23)36-29(35-26)28-24-14-19(9-12-25(24)34-28)20-13-22(16-32-15-20)33-30(37)18-3-1-4-18/h2,5-16,18H,1,3-4H2,(H,33,37)(H,35,36)
InChIKeyMSSZBYABWCRASZ-UHFFFAOYSA-N
XLogP4.96
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide with MolForge

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Related Compounds

N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 139424479
N-[5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136943303
N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136509612
N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137109066
N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136509597
N-[5-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137019282
N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136509595
N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136509111
N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137057368
N-[5-[3-[4-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 139424469
N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 137055108
N-(1-cyclopentylethenyl)-5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145033177

Frequently Asked Questions

What is the IUPAC name of N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 144667577) is N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide is O=C(Nc1cncc(-c2ccc3c(c2)=C(c2nc4c(-c5ccc(F)cc5)cccc4[nH]2)N=3)c1)C1CCC1.
What is the InChIKey of N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is MSSZBYABWCRASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22FN5O/c31-21-10-7-17(8-11-21)23-5-2-6-26-27(23)36-29(35-26)28-24-14-19(9-12-25(24)34-28)20-13-22(16-32-15-20)33-30(37)18-3-1-4-18/h2,5-16,18H,1,3-4H2,(H,33,37)(H,35,36).
What are the key properties of N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide?
N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 487.54 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[8-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-3-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 144667577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).