N-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C28H32F3N5O4 — CID 154970190

IUPACN-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCC(Oc2cc3nn(C4CC(C(C)(C)O)C4)cc3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C28H32F3N5O4/c1-16(37)35-9-7-20(8-10-35)40-24-14-22-17(15-36(34-22)19-12-18(13-19)27(2,3)39)11-23(24)33-26(38)21-5-4-6-25(32-21)28(29,30)31/h4-6,11,14-15,18-20,39H,7-10,12-13H2,1-3H3,(H,33,38)
InChIKeyJIWOHVQUWOLVMQ-UHFFFAOYSA-N
MW559.59 g/mol
LogP4.81
Rot. Bonds6

About N-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154970190) has the molecular formula C28H32F3N5O4 and a molecular weight of 559.59 g/mol. Its IUPAC name is N-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154970190
Molecular FormulaC28H32F3N5O4
Molecular Weight559.59 g/mol
Exact Mass559.24
IUPAC NameN-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(=O)N1CCC(Oc2cc3nn(C4CC(C(C)(C)O)C4)cc3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C28H32F3N5O4/c1-16(37)35-9-7-20(8-10-35)40-24-14-22-17(15-36(34-22)19-12-18(13-19)27(2,3)39)11-23(24)33-26(38)21-5-4-6-25(32-21)28(29,30)31/h4-6,11,14-15,18-20,39H,7-10,12-13H2,1-3H3,(H,33,38)
InChIKeyJIWOHVQUWOLVMQ-UHFFFAOYSA-N
XLogP4.81
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.59
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]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-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154970190) is N-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(=O)N1CCC(Oc2cc3nn(C4CC(C(C)(C)O)C4)cc3cc2NC(=O)c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JIWOHVQUWOLVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O4/c1-16(37)35-9-7-20(8-10-35)40-24-14-22-17(15-36(34-22)19-12-18(13-19)27(2,3)39)11-23(24)33-26(38)21-5-4-6-25(32-21)28(29,30)31/h4-6,11,14-15,18-20,39H,7-10,12-13H2,1-3H3,(H,33,38).
What are the key properties of N-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 559.59 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-acetylpiperidin-4-yl)oxy-2-[3-(2-hydroxypropan-2-yl)cyclobutyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154970190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).