N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide

C27H34N8O3Si — CID 156880932

IUPACN-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1NC(=O)c1ccc2cn(COCC[Si](C)(C)C)nc2c1
InChIInChI=1S/C27H34N8O3Si/c1-17-11-25(31-18(2)30-17)33-24-13-23(21(14-29-24)27(37)28-3)32-26(36)19-7-8-20-15-35(34-22(20)12-19)16-38-9-10-39(4,5)6/h7-8,11-15H,9-10,16H2,1-6H3,(H,28,37)(H2,29,30,31,32,33,36)
InChIKeySPXAUVRDKUSYHC-UHFFFAOYSA-N
MW546.71 g/mol
LogP4.51
Rot. Bonds10

About N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide

N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide (PubChem CID 156880932) has the molecular formula C27H34N8O3Si and a molecular weight of 546.71 g/mol. Its IUPAC name is N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide
PubChem CID156880932
Molecular FormulaC27H34N8O3Si
Molecular Weight546.71 g/mol
Exact Mass546.25
IUPAC NameN-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1NC(=O)c1ccc2cn(COCC[Si](C)(C)C)nc2c1
InChIInChI=1S/C27H34N8O3Si/c1-17-11-25(31-18(2)30-17)33-24-13-23(21(14-29-24)27(37)28-3)32-26(36)19-7-8-20-15-35(34-22(20)12-19)16-38-9-10-39(4,5)6/h7-8,11-15H,9-10,16H2,1-6H3,(H,28,37)(H2,29,30,31,32,33,36)
InChIKeySPXAUVRDKUSYHC-UHFFFAOYSA-N
XLogP4.51
TPSA135.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.71
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-3H-benzimidazole-5-carboxamide
CID 156880875
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[[2-methoxy-3-(2-methoxyethoxymethyl)benzoyl]amino]-N-methylpyridine-3-carboxamide
CID 156880829
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(5-fluoro-2-methoxybenzoyl)amino]-N-methylpyridine-3-carboxamide
CID 156880977
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-methylpyridine-3-carboxamide
CID 175861594
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153800
2-methyl-N-(5-methylpyrazin-2-yl)indazole-6-carboxamide
CID 67997917
4-[(2-fluoro-6-methoxybenzoyl)amino]-6-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-N-methylpyridine-3-carboxamide
CID 156880816
2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90211025
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[2-(methanesulfonamido)-4-methylanilino]pyridine-3-carboxamide
CID 175304331
2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
CID 175820295
4-[(2-methoxy-3-pyridinyl)amino]-N-methyl-6-[(2-methyl-6-methylsulfonylpyrimidin-4-yl)amino]pyridine-3-carboxamide
CID 90153827
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide?
The IUPAC name of N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide (CID 156880932) is N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide.
What is the SMILES notation for N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide?
The canonical SMILES for N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide is CNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1NC(=O)c1ccc2cn(COCC[Si](C)(C)C)nc2c1.
What is the InChIKey of N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide?
The InChIKey is SPXAUVRDKUSYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O3Si/c1-17-11-25(31-18(2)30-17)33-24-13-23(21(14-29-24)27(37)28-3)32-26(36)19-7-8-20-15-35(34-22(20)12-19)16-38-9-10-39(4,5)6/h7-8,11-15H,9-10,16H2,1-6H3,(H,28,37)(H2,29,30,31,32,33,36).
What are the key properties of N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide?
N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide has a molecular weight of 546.71 g/mol, XLogP of 4.51, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dimethylpyrimidin-4-yl)amino]-5-(methylcarbamoyl)-4-pyridinyl]-2-(2-trimethylsilylethoxymethyl)indazole-6-carboxamide is sourced from PubChem (CID 156880932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).