N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C28H25F3N6O3 — CID 118172966

IUPACN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1cc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C28H25F3N6O3/c1-18-14-23-20(15-22(18)33-26(39)21-8-5-9-24(32-21)28(29,30)31)16-37(34-23)17-25(38)35-10-12-36(13-11-35)27(40)19-6-3-2-4-7-19/h2-9,14-16H,10-13,17H2,1H3,(H,33,39)
InChIKeyNMSUYHDCCLRIQA-UHFFFAOYSA-N
MW550.54 g/mol
LogP4.00
Rot. Bonds5

About N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172966) has the molecular formula C28H25F3N6O3 and a molecular weight of 550.54 g/mol. Its IUPAC name is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172966
Molecular FormulaC28H25F3N6O3
Molecular Weight550.54 g/mol
Exact Mass550.19
IUPAC NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1cc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C28H25F3N6O3/c1-18-14-23-20(15-22(18)33-26(39)21-8-5-9-24(32-21)28(29,30)31)16-37(34-23)17-25(38)35-10-12-36(13-11-35)27(40)19-6-3-2-4-7-19/h2-9,14-16H,10-13,17H2,1H3,(H,33,39)
InChIKeyNMSUYHDCCLRIQA-UHFFFAOYSA-N
XLogP4.00
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172966) is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cc1cc2nn(CC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NMSUYHDCCLRIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N6O3/c1-18-14-23-20(15-22(18)33-26(39)21-8-5-9-24(32-21)28(29,30)31)16-37(34-23)17-25(38)35-10-12-36(13-11-35)27(40)19-6-3-2-4-7-19/h2-9,14-16H,10-13,17H2,1H3,(H,33,39).
What are the key properties of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 550.54 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).