N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C21H20F4N6O2 — CID 118172870

IUPACN-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(F)cc3n2)CC1
InChIInChI=1S/C21H20F4N6O2/c1-29-5-7-30(8-6-29)19(32)12-31-11-13-9-17(14(22)10-16(13)28-31)27-20(33)15-3-2-4-18(26-15)21(23,24)25/h2-4,9-11H,5-8,12H2,1H3,(H,27,33)
InChIKeyHCRLYUIFWYVWBV-UHFFFAOYSA-N
MW464.42 g/mol
LogP2.62
Rot. Bonds4

About N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172870) has the molecular formula C21H20F4N6O2 and a molecular weight of 464.42 g/mol. Its IUPAC name is N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172870
Molecular FormulaC21H20F4N6O2
Molecular Weight464.42 g/mol
Exact Mass464.16
IUPAC NameN-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(F)cc3n2)CC1
InChIInChI=1S/C21H20F4N6O2/c1-29-5-7-30(8-6-29)19(32)12-31-11-13-9-17(14(22)10-16(13)28-31)27-20(33)15-3-2-4-18(26-15)21(23,24)25/h2-4,9-11H,5-8,12H2,1H3,(H,27,33)
InChIKeyHCRLYUIFWYVWBV-UHFFFAOYSA-N
XLogP2.62
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172870) is N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(F)cc3n2)CC1.
What is the InChIKey of N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is HCRLYUIFWYVWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N6O2/c1-29-5-7-30(8-6-29)19(32)12-31-11-13-9-17(14(22)10-16(13)28-31)27-20(33)15-3-2-4-18(26-15)21(23,24)25/h2-4,9-11H,5-8,12H2,1H3,(H,27,33).
What are the key properties of N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 464.42 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).