N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

C24H30N8O — CID 110218716

IUPACN-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCc1nc(C(Cc2c[nH]c3ccccc23)NC(=O)Cn2cc(C(C)C)nn2)cc(N(C)C)n1
InChIInChI=1S/C24H30N8O/c1-15(2)22-13-32(30-29-22)14-24(33)28-20(21-11-23(31(4)5)27-16(3)26-21)10-17-12-25-19-9-7-6-8-18(17)19/h6-9,11-13,15,20,25H,10,14H2,1-5H3,(H,28,33)
InChIKeyLIQCBOGVMAGHIH-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.15
Rot. Bonds8

About N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (PubChem CID 110218716) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
PubChem CID110218716
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC NameN-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCc1nc(C(Cc2c[nH]c3ccccc23)NC(=O)Cn2cc(C(C)C)nn2)cc(N(C)C)n1
InChIInChI=1S/C24H30N8O/c1-15(2)22-13-32(30-29-22)14-24(33)28-20(21-11-23(31(4)5)27-16(3)26-21)10-17-12-25-19-9-7-6-8-18(17)19/h6-9,11-13,15,20,25H,10,14H2,1-5H3,(H,28,33)
InChIKeyLIQCBOGVMAGHIH-UHFFFAOYSA-N
XLogP3.15
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-3,3-dimethylbutanamide
CID 110218737
N-[(1R)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 92564350
N-[(1S)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-ethylbutanamide
CID 92585990
N-[(1R)-1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-methoxy-3-methylbenzamide
CID 92561350
N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 110218715
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-[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
N-[(1S)-2-(1H-indol-3-yl)-1-(4-methylquinolin-2-yl)ethyl]acetamide
CID 154715387
N-[(1S)-2-(1H-indol-3-yl)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 136763352
N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 92560753
N-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110218750
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The IUPAC name of N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (CID 110218716) is N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The canonical SMILES for N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is Cc1nc(C(Cc2c[nH]c3ccccc23)NC(=O)Cn2cc(C(C)C)nn2)cc(N(C)C)n1.
What is the InChIKey of N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The InChIKey is LIQCBOGVMAGHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-15(2)22-13-32(30-29-22)14-24(33)28-20(21-11-23(31(4)5)27-16(3)26-21)10-17-12-25-19-9-7-6-8-18(17)19/h6-9,11-13,15,20,25H,10,14H2,1-5H3,(H,28,33).
What are the key properties of N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide has a molecular weight of 446.56 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is sourced from PubChem (CID 110218716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).