N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C23H26F3N5O2 — CID 154970245

IUPACN-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(C)c1cc2nn(C3CCC(C)(O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H26F3N5O2/c1-22(33)9-7-15(8-10-22)31-13-14-11-18(19(30(2)3)12-17(14)29-31)28-21(32)16-5-4-6-20(27-16)23(24,25)26/h4-6,11-13,15,33H,7-10H2,1-3H3,(H,28,32)
InChIKeyVDXZYQNOOXNPFW-UHFFFAOYSA-N
MW461.49 g/mol
LogP4.63
Rot. Bonds4

About N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154970245) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154970245
Molecular FormulaC23H26F3N5O2
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC NameN-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(C)c1cc2nn(C3CCC(C)(O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H26F3N5O2/c1-22(33)9-7-15(8-10-22)31-13-14-11-18(19(30(2)3)12-17(14)29-31)28-21(32)16-5-4-6-20(27-16)23(24,25)26/h4-6,11-13,15,33H,7-10H2,1-3H3,(H,28,32)
InChIKeyVDXZYQNOOXNPFW-UHFFFAOYSA-N
XLogP4.63
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154970245) is N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CN(C)c1cc2nn(C3CCC(C)(O)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is VDXZYQNOOXNPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c1-22(33)9-7-15(8-10-22)31-13-14-11-18(19(30(2)3)12-17(14)29-31)28-21(32)16-5-4-6-20(27-16)23(24,25)26/h4-6,11-13,15,33H,7-10H2,1-3H3,(H,28,32).
What are the key properties of N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 461.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-2-(4-hydroxy-4-methylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154970245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).