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

C21H22N6O2 — CID 136735516

IUPACN-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cnn(C)c2C)cc(=O)[nH]1
InChIInChI=1S/C21H22N6O2/c1-12-16(11-23-27(12)3)21(29)26-18(19-9-20(28)25-13(2)24-19)8-14-10-22-17-7-5-4-6-15(14)17/h4-7,9-11,18,22H,8H2,1-3H3,(H,26,29)(H,24,25,28)/t18-/m1/s1
InChIKeyOHNGVGDFURIPJZ-GOSISDBHSA-N
MW390.45 g/mol
LogP2.32
Rot. Bonds5

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

N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 136735516) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID136735516
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cnn(C)c2C)cc(=O)[nH]1
InChIInChI=1S/C21H22N6O2/c1-12-16(11-23-27(12)3)21(29)26-18(19-9-20(28)25-13(2)24-19)8-14-10-22-17-7-5-4-6-15(14)17/h4-7,9-11,18,22H,8H2,1-3H3,(H,26,29)(H,24,25,28)/t18-/m1/s1
InChIKeyOHNGVGDFURIPJZ-GOSISDBHSA-N
XLogP2.32
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 136761415
2-ethoxy-N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]pyridine-3-carboxamide
CID 136761399
N-[2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 136761398
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-[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-[(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-[(1R)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxy-3-methylbenzamide
CID 92561350
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide (CID 136735516) is N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cnn(C)c2C)cc(=O)[nH]1.
What is the InChIKey of N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is OHNGVGDFURIPJZ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-12-16(11-23-27(12)3)21(29)26-18(19-9-20(28)25-13(2)24-19)8-14-10-22-17-7-5-4-6-15(14)17/h4-7,9-11,18,22H,8H2,1-3H3,(H,26,29)(H,24,25,28)/t18-/m1/s1.
What are the key properties of N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 136735516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).