N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide

C27H32F3N5O3 — CID 77465848

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C(F)(F)F)cc2c1cnn2C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C27H32F3N5O3/c1-15-10-16(2)33-24(37)20(15)13-31-23(36)19-11-17(27(28,29)30)12-22-21(19)14-32-35(22)18-6-8-34(9-7-18)25(38)26(3,4)5/h10-12,14,18,20H,6-9,13H2,1-5H3,(H,31,36)
InChIKeyGFYLYNNPYNBYGQ-UHFFFAOYSA-N
MW531.58 g/mol
LogP4.56
Rot. Bonds4

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide (PubChem CID 77465848) has the molecular formula C27H32F3N5O3 and a molecular weight of 531.58 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide
PubChem CID77465848
Molecular FormulaC27H32F3N5O3
Molecular Weight531.58 g/mol
Exact Mass531.25
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C(F)(F)F)cc2c1cnn2C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C27H32F3N5O3/c1-15-10-16(2)33-24(37)20(15)13-31-23(36)19-11-17(27(28,29)30)12-22-21(19)14-32-35(22)18-6-8-34(9-7-18)25(38)26(3,4)5/h10-12,14,18,20H,6-9,13H2,1-5H3,(H,31,36)
InChIKeyGFYLYNNPYNBYGQ-UHFFFAOYSA-N
XLogP4.56
TPSA96.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide (CID 77465848) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C(F)(F)F)cc2c1cnn2C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide?
The InChIKey is GFYLYNNPYNBYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O3/c1-15-10-16(2)33-24(37)20(15)13-31-23(36)19-11-17(27(28,29)30)12-22-21(19)14-32-35(22)18-6-8-34(9-7-18)25(38)26(3,4)5/h10-12,14,18,20H,6-9,13H2,1-5H3,(H,31,36).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide has a molecular weight of 531.58 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(trifluoromethyl)indazole-4-carboxamide is sourced from PubChem (CID 77465848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).