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

C26H28ClF3N6O3 — CID 118182620

IUPACN-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCC(N4CCC(O)CC4)CC3)nc2cc1Cl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H28ClF3N6O3/c27-19-13-21-16(12-22(19)32-25(39)20-2-1-3-23(31-20)26(28,29)30)14-36(33-21)15-24(38)35-8-4-17(5-9-35)34-10-6-18(37)7-11-34/h1-3,12-14,17-18,37H,4-11,15H2,(H,32,39)
InChIKeyVBGARMGLLTUNSH-UHFFFAOYSA-N
MW565.00 g/mol
LogP3.80
Rot. Bonds5

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

N-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118182620) has the molecular formula C26H28ClF3N6O3 and a molecular weight of 565.00 g/mol. Its IUPAC name is N-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118182620
Molecular FormulaC26H28ClF3N6O3
Molecular Weight565.00 g/mol
Exact Mass564.19
IUPAC NameN-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCC(N4CCC(O)CC4)CC3)nc2cc1Cl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H28ClF3N6O3/c27-19-13-21-16(12-22(19)32-25(39)20-2-1-3-23(31-20)26(28,29)30)14-36(33-21)15-24(38)35-8-4-17(5-9-35)34-10-6-18(37)7-11-34/h1-3,12-14,17-18,37H,4-11,15H2,(H,32,39)
InChIKeyVBGARMGLLTUNSH-UHFFFAOYSA-N
XLogP3.80
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.00
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118182620) is N-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(CC(=O)N3CCC(N4CCC(O)CC4)CC3)nc2cc1Cl)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is VBGARMGLLTUNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClF3N6O3/c27-19-13-21-16(12-22(19)32-25(39)20-2-1-3-23(31-20)26(28,29)30)14-36(33-21)15-24(38)35-8-4-17(5-9-35)34-10-6-18(37)7-11-34/h1-3,12-14,17-18,37H,4-11,15H2,(H,32,39).
What are the key properties of N-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 565.00 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118182620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).