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

C26H30F3N5O4 — CID 118172743

IUPACN-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nn(CC(=O)N3CCC(C(C)(C)O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H30F3N5O4/c1-4-38-21-13-19-16(12-20(21)31-24(36)18-6-5-7-22(30-18)26(27,28)29)14-34(32-19)15-23(35)33-10-8-17(9-11-33)25(2,3)37/h5-7,12-14,17,37H,4,8-11,15H2,1-3H3,(H,31,36)
InChIKeyDSBZRHYSGCVOBZ-UHFFFAOYSA-N
MW533.55 g/mol
LogP4.11
Rot. Bonds7

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

N-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172743) has the molecular formula C26H30F3N5O4 and a molecular weight of 533.55 g/mol. Its IUPAC name is N-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172743
Molecular FormulaC26H30F3N5O4
Molecular Weight533.55 g/mol
Exact Mass533.22
IUPAC NameN-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1cc2nn(CC(=O)N3CCC(C(C)(C)O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H30F3N5O4/c1-4-38-21-13-19-16(12-20(21)31-24(36)18-6-5-7-22(30-18)26(27,28)29)14-34(32-19)15-23(35)33-10-8-17(9-11-33)25(2,3)37/h5-7,12-14,17,37H,4,8-11,15H2,1-3H3,(H,31,36)
InChIKeyDSBZRHYSGCVOBZ-UHFFFAOYSA-N
XLogP4.11
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.55
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172743) is N-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CCOc1cc2nn(CC(=O)N3CCC(C(C)(C)O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DSBZRHYSGCVOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O4/c1-4-38-21-13-19-16(12-20(21)31-24(36)18-6-5-7-22(30-18)26(27,28)29)14-34(32-19)15-23(35)33-10-8-17(9-11-33)25(2,3)37/h5-7,12-14,17,37H,4,8-11,15H2,1-3H3,(H,31,36).
What are the key properties of N-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 533.55 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethoxy-2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).