N-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C28H32F3N7O3 — CID 118173056

IUPACN-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)C2(C)CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)CC1
InChIInChI=1S/C28H32F3N7O3/c1-27(26(41)37-14-12-35(2)13-15-37)8-10-36(11-9-27)24(39)18-38-17-19-16-20(6-7-21(19)34-38)32-25(40)22-4-3-5-23(33-22)28(29,30)31/h3-7,16-17H,8-15,18H2,1-2H3,(H,32,40)
InChIKeyHUAHBXLDYXFVAS-UHFFFAOYSA-N
MW571.60 g/mol
LogP3.11
Rot. Bonds5

About N-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118173056) has the molecular formula C28H32F3N7O3 and a molecular weight of 571.60 g/mol. Its IUPAC name is N-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118173056
Molecular FormulaC28H32F3N7O3
Molecular Weight571.60 g/mol
Exact Mass571.25
IUPAC NameN-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1CCN(C(=O)C2(C)CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)CC1
InChIInChI=1S/C28H32F3N7O3/c1-27(26(41)37-14-12-35(2)13-15-37)8-10-36(11-9-27)24(39)18-38-17-19-16-20(6-7-21(19)34-38)32-25(40)22-4-3-5-23(33-22)28(29,30)31/h3-7,16-17H,8-15,18H2,1-2H3,(H,32,40)
InChIKeyHUAHBXLDYXFVAS-UHFFFAOYSA-N
XLogP3.11
TPSA103.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.60
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118173056) is N-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CN1CCN(C(=O)C2(C)CCN(C(=O)Cn3cc4cc(NC(=O)c5cccc(C(F)(F)F)n5)ccc4n3)CC2)CC1.
What is the InChIKey of N-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is HUAHBXLDYXFVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N7O3/c1-27(26(41)37-14-12-35(2)13-15-37)8-10-36(11-9-27)24(39)18-38-17-19-16-20(6-7-21(19)34-38)32-25(40)22-4-3-5-23(33-22)28(29,30)31/h3-7,16-17H,8-15,18H2,1-2H3,(H,32,40).
What are the key properties of N-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 571.60 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118173056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).