3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide

C23H22FN5O — CID 56738961

IUPAC3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NC1CCCc2c1cnn2-c1ccccc1F
InChIInChI=1S/C23H22FN5O/c24-17-6-1-3-9-21(17)29-20-11-5-8-18(16(20)14-26-29)27-23(30)12-13-28-15-25-19-7-2-4-10-22(19)28/h1-4,6-7,9-10,14-15,18H,5,8,11-13H2,(H,27,30)
InChIKeyRTWZWTZCUBFDTG-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.94
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide

3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide (PubChem CID 56738961) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
PubChem CID56738961
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NC1CCCc2c1cnn2-c1ccccc1F
InChIInChI=1S/C23H22FN5O/c24-17-6-1-3-9-21(17)29-20-11-5-8-18(16(20)14-26-29)27-23(30)12-13-28-15-25-19-7-2-4-10-22(19)28/h1-4,6-7,9-10,14-15,18H,5,8,11-13H2,(H,27,30)
InChIKeyRTWZWTZCUBFDTG-UHFFFAOYSA-N
XLogP3.94
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzimidazol-1-yl)-N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 42099150
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 24817868
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-indazol-2-ylacetamide
CID 26317128
N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 42384413
3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 26326251
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 24817447
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyridine-2-carboxamide
CID 129104732
2-chloro-6-fluoro-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 45215664
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyridine-3-carboxamide
CID 129104749
N-[(4S)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 25283597
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 24791226
3-bromo-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 160839490

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide (CID 56738961) is 3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide is O=C(CCn1cnc2ccccc21)NC1CCCc2c1cnn2-c1ccccc1F.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
The InChIKey is RTWZWTZCUBFDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c24-17-6-1-3-9-21(17)29-20-11-5-8-18(16(20)14-26-29)27-23(30)12-13-28-15-25-19-7-2-4-10-22(19)28/h1-4,6-7,9-10,14-15,18H,5,8,11-13H2,(H,27,30).
What are the key properties of 3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide?
3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide has a molecular weight of 403.46 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide is sourced from PubChem (CID 56738961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).