N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C28H34F3N5O4 — CID 118173108

IUPACN-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)COc1cc2nn(CC(=O)N3CCC(C(C)(C)O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C28H34F3N5O4/c1-17(2)16-40-23-13-21-18(12-22(23)33-26(38)20-6-5-7-24(32-20)28(29,30)31)14-36(34-21)15-25(37)35-10-8-19(9-11-35)27(3,4)39/h5-7,12-14,17,19,39H,8-11,15-16H2,1-4H3,(H,33,38)
InChIKeyISVNZBASBWIECM-UHFFFAOYSA-N
MW561.61 g/mol
LogP4.75
Rot. Bonds8

About N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118173108) has the molecular formula C28H34F3N5O4 and a molecular weight of 561.61 g/mol. Its IUPAC name is N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118173108
Molecular FormulaC28H34F3N5O4
Molecular Weight561.61 g/mol
Exact Mass561.26
IUPAC NameN-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)COc1cc2nn(CC(=O)N3CCC(C(C)(C)O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C28H34F3N5O4/c1-17(2)16-40-23-13-21-18(12-22(23)33-26(38)20-6-5-7-24(32-20)28(29,30)31)14-36(34-21)15-25(37)35-10-8-19(9-11-35)27(3,4)39/h5-7,12-14,17,19,39H,8-11,15-16H2,1-4H3,(H,33,38)
InChIKeyISVNZBASBWIECM-UHFFFAOYSA-N
XLogP4.75
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.61
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118173108) is N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)COc1cc2nn(CC(=O)N3CCC(C(C)(C)O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ISVNZBASBWIECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F3N5O4/c1-17(2)16-40-23-13-21-18(12-22(23)33-26(38)20-6-5-7-24(32-20)28(29,30)31)14-36(34-21)15-25(37)35-10-8-19(9-11-35)27(3,4)39/h5-7,12-14,17,19,39H,8-11,15-16H2,1-4H3,(H,33,38).
What are the key properties of N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 561.61 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118173108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).