N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C21H19F3N6O2 — CID 136761415

IUPACN-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1nc(C(Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(F)(F)F)n(C)n2)cc(=O)[nH]1
InChIInChI=1S/C21H19F3N6O2/c1-11-26-16(9-19(31)27-11)15(7-12-10-25-14-6-4-3-5-13(12)14)28-20(32)17-8-18(21(22,23)24)30(2)29-17/h3-6,8-10,15,25H,7H2,1-2H3,(H,28,32)(H,26,27,31)
InChIKeyGENSTUUZLMOYEZ-UHFFFAOYSA-N
MW444.42 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 136761415) has the molecular formula C21H19F3N6O2 and a molecular weight of 444.42 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID136761415
Molecular FormulaC21H19F3N6O2
Molecular Weight444.42 g/mol
Exact Mass444.15
IUPAC NameN-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1nc(C(Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(F)(F)F)n(C)n2)cc(=O)[nH]1
InChIInChI=1S/C21H19F3N6O2/c1-11-26-16(9-19(31)27-11)15(7-12-10-25-14-6-4-3-5-13(12)14)28-20(32)17-8-18(21(22,23)24)30(2)29-17/h3-6,8-10,15,25H,7H2,1-2H3,(H,28,32)(H,26,27,31)
InChIKeyGENSTUUZLMOYEZ-UHFFFAOYSA-N
XLogP3.03
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 136735516
2-fluoro-N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]benzamide
CID 136763646
N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 136761398
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136860410
N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 136763352
N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 136763644
N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 136761392
2-ethoxy-N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-3-carboxamide
CID 136761399
N-[(1R)-2-(1H-indol-3-yl)-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)ethyl]thiophene-2-carboxamide
CID 136886551
N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide
CID 154715387
N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110218715
N-[(1R)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxy-3-methylbenzamide
CID 92561350

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 136761415) is N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cc1nc(C(Cc2c[nH]c3ccccc23)NC(=O)c2cc(C(F)(F)F)n(C)n2)cc(=O)[nH]1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is GENSTUUZLMOYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c1-11-26-16(9-19(31)27-11)15(7-12-10-25-14-6-4-3-5-13(12)14)28-20(32)17-8-18(21(22,23)24)30(2)29-17/h3-6,8-10,15,25H,7H2,1-2H3,(H,28,32)(H,26,27,31).
What are the key properties of N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 444.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 136761415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).