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

C22H20F3N7O2 — CID 118172933

IUPACN-[6-cyano-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(C#N)cc3n2)CC1
InChIInChI=1S/C22H20F3N7O2/c1-30-5-7-31(8-6-30)20(33)13-32-12-15-10-17(14(11-26)9-18(15)29-32)28-21(34)16-3-2-4-19(27-16)22(23,24)25/h2-4,9-10,12H,5-8,13H2,1H3,(H,28,34)
InChIKeyIOKCIWOKFITZTJ-UHFFFAOYSA-N
MW471.44 g/mol
LogP2.35
Rot. Bonds4

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

N-[6-cyano-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172933) has the molecular formula C22H20F3N7O2 and a molecular weight of 471.44 g/mol. Its IUPAC name is N-[6-cyano-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-cyano-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172933
Molecular FormulaC22H20F3N7O2
Molecular Weight471.44 g/mol
Exact Mass471.16
IUPAC NameN-[6-cyano-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(C#N)cc3n2)CC1
InChIInChI=1S/C22H20F3N7O2/c1-30-5-7-31(8-6-30)20(33)13-32-12-15-10-17(14(11-26)9-18(15)29-32)28-21(34)16-3-2-4-19(27-16)22(23,24)25/h2-4,9-10,12H,5-8,13H2,1H3,(H,28,34)
InChIKeyIOKCIWOKFITZTJ-UHFFFAOYSA-N
XLogP2.35
TPSA107.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-cyano-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172933) is N-[6-cyano-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-cyano-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-cyano-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(C#N)cc3n2)CC1.
What is the InChIKey of N-[6-cyano-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is IOKCIWOKFITZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7O2/c1-30-5-7-31(8-6-30)20(33)13-32-12-15-10-17(14(11-26)9-18(15)29-32)28-21(34)16-3-2-4-19(27-16)22(23,24)25/h2-4,9-10,12H,5-8,13H2,1H3,(H,28,34).
What are the key properties of N-[6-cyano-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-cyano-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).