N-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H29F3N6O2 — CID 137377416

IUPACN-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCN(CCN(C)C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H29F3N6O2/c1-31(2)11-12-32-9-7-17(8-10-32)33-15-16-13-20(21(35-3)14-19(16)30-33)29-23(34)18-5-4-6-22(28-18)24(25,26)27/h4-6,13-15,17H,7-12H2,1-3H3,(H,29,34)
InChIKeyNDABOOUWFLKWNO-UHFFFAOYSA-N
MW490.53 g/mol
LogP3.91
Rot. Bonds7

About N-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 137377416) has the molecular formula C24H29F3N6O2 and a molecular weight of 490.53 g/mol. Its IUPAC name is N-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID137377416
Molecular FormulaC24H29F3N6O2
Molecular Weight490.53 g/mol
Exact Mass490.23
IUPAC NameN-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCN(CCN(C)C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H29F3N6O2/c1-31(2)11-12-32-9-7-17(8-10-32)33-15-16-13-20(21(35-3)14-19(16)30-33)29-23(34)18-5-4-6-22(28-18)24(25,26)27/h4-6,13-15,17H,7-12H2,1-3H3,(H,29,34)
InChIKeyNDABOOUWFLKWNO-UHFFFAOYSA-N
XLogP3.91
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-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-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 137377416) is N-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc2nn(C3CCN(CCN(C)C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NDABOOUWFLKWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N6O2/c1-31(2)11-12-32-9-7-17(8-10-32)33-15-16-13-20(21(35-3)14-19(16)30-33)29-23(34)18-5-4-6-22(28-18)24(25,26)27/h4-6,13-15,17H,7-12H2,1-3H3,(H,29,34).
What are the key properties of N-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 490.53 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 137377416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).