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

C27H24F3N5O4S — CID 118172541

IUPACN-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C27H24F3N5O4S/c28-27(29,30)24-8-4-7-23(32-24)26(37)31-19-9-10-22-18(15-19)16-35(33-22)17-25(36)34-13-11-21(12-14-34)40(38,39)20-5-2-1-3-6-20/h1-10,15-16,21H,11-14,17H2,(H,31,37)
InChIKeyROTZDUQZPNHJLA-UHFFFAOYSA-N
MW571.58 g/mol
LogP4.17
Rot. Bonds6

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

N-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172541) has the molecular formula C27H24F3N5O4S and a molecular weight of 571.58 g/mol. Its IUPAC name is N-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172541
Molecular FormulaC27H24F3N5O4S
Molecular Weight571.58 g/mol
Exact Mass571.15
IUPAC NameN-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C27H24F3N5O4S/c28-27(29,30)24-8-4-7-23(32-24)26(37)31-19-9-10-22-18(15-19)16-35(33-22)17-25(36)34-13-11-21(12-14-34)40(38,39)20-5-2-1-3-6-20/h1-10,15-16,21H,11-14,17H2,(H,31,37)
InChIKeyROTZDUQZPNHJLA-UHFFFAOYSA-N
XLogP4.17
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172541) is N-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCC(S(=O)(=O)c4ccccc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ROTZDUQZPNHJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O4S/c28-27(29,30)24-8-4-7-23(32-24)26(37)31-19-9-10-22-18(15-19)16-35(33-22)17-25(36)34-13-11-21(12-14-34)40(38,39)20-5-2-1-3-6-20/h1-10,15-16,21H,11-14,17H2,(H,31,37).
What are the key properties of N-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 571.58 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(benzenesulfonyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).