1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide

C26H27F2N5O2 — CID 159460058

IUPAC1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C2(C(=O)Nc3cc4c(/C=C/c5ccc(F)cc5)n[nH]c4cc3F)CC2C)CC1
InChIInChI=1S/C26H27F2N5O2/c1-16-15-26(16,33-11-9-32(10-12-33)17(2)34)25(35)29-24-13-20-22(30-31-23(20)14-21(24)28)8-5-18-3-6-19(27)7-4-18/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,29,35)(H,30,31)/b8-5+
InChIKeyLUMCAGNFFJAIQS-VMPITWQZSA-N
MW479.53 g/mol
LogP3.89
Rot. Bonds5

About 1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide

1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 159460058) has the molecular formula C26H27F2N5O2 and a molecular weight of 479.53 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID159460058
Molecular FormulaC26H27F2N5O2
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Name1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide
SMILESCC(=O)N1CCN(C2(C(=O)Nc3cc4c(/C=C/c5ccc(F)cc5)n[nH]c4cc3F)CC2C)CC1
InChIInChI=1S/C26H27F2N5O2/c1-16-15-26(16,33-11-9-32(10-12-33)17(2)34)25(35)29-24-13-20-22(30-31-23(20)14-21(24)28)8-5-18-3-6-19(27)7-4-18/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,29,35)(H,30,31)/b8-5+
InChIKeyLUMCAGNFFJAIQS-VMPITWQZSA-N
XLogP3.89
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11453116
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CID 90912537
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CID 58486277
N-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]methyl]-5-methyl-1H-indazole-3-carboxamide
CID 9889536
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indazol-5-yl]-benzamide
CID 9950390
N-(4-fluorophenyl)-2-[6-(2H-indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-propan-2-ylacetamide
CID 11512024
2-[6-(2H-indazol-3-ylmethyl)-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 11627577
2-[6-[(6-fluoro-2H-indazol-3-yl)methyl]-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 11635051
2-[6-[(6-fluoro-2H-indazol-3-yl)methyl]-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 11635265
6-(2H-indazol-3-ylmethyl)-1-[2-oxo-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]-4-phenyl-1,4-diazepine-5,7-dione
CID 11685018
6-[(6-fluoro-2H-indazol-3-yl)methyl]-1-[2-oxo-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]-4-phenyl-1,4-diazepine-5,7-dione
CID 11692334
2-phenyl-N-(3-(2-phenylcyclopropyl)-1H-indazol-5-yl)acetamide
CID 16070056

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide (CID 159460058) is 1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide is CC(=O)N1CCN(C2(C(=O)Nc3cc4c(/C=C/c5ccc(F)cc5)n[nH]c4cc3F)CC2C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is LUMCAGNFFJAIQS-VMPITWQZSA-N. The full InChI is InChI=1S/C26H27F2N5O2/c1-16-15-26(16,33-11-9-32(10-12-33)17(2)34)25(35)29-24-13-20-22(30-31-23(20)14-21(24)28)8-5-18-3-6-19(27)7-4-18/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,29,35)(H,30,31)/b8-5+.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide?
1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 159460058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).