N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C26H27FN4O2 — CID 55622180

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3CCCc4c3cnn4Cc3ccccc3)CC2=O)c(F)c1
InChIInChI=1S/C26H27FN4O2/c1-17-10-11-24(21(27)12-17)30-16-19(13-25(30)32)26(33)29-22-8-5-9-23-20(22)14-28-31(23)15-18-6-3-2-4-7-18/h2-4,6-7,10-12,14,19,22H,5,8-9,13,15-16H2,1H3,(H,29,33)
InChIKeyZGWZMLYBKDFKPV-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.93
Rot. Bonds5

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55622180) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55622180
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC3CCCc4c3cnn4Cc3ccccc3)CC2=O)c(F)c1
InChIInChI=1S/C26H27FN4O2/c1-17-10-11-24(21(27)12-17)30-16-19(13-25(30)32)26(33)29-22-8-5-9-23-20(22)14-28-31(23)15-18-6-3-2-4-7-18/h2-4,6-7,10-12,14,19,22H,5,8-9,13,15-16H2,1H3,(H,29,33)
InChIKeyZGWZMLYBKDFKPV-UHFFFAOYSA-N
XLogP3.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
1-(2-methoxy-5-methylphenyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 55602158
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 46424971
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
(3S)-1-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95126966
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
CID 51939181
N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 71909399
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55622399

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55622180) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NC3CCCc4c3cnn4Cc3ccccc3)CC2=O)c(F)c1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZGWZMLYBKDFKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-17-10-11-24(21(27)12-17)30-16-19(13-25(30)32)26(33)29-22-8-5-9-23-20(22)14-28-31(23)15-18-6-3-2-4-7-18/h2-4,6-7,10-12,14,19,22H,5,8-9,13,15-16H2,1H3,(H,29,33).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55622180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).