N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide

C20H30N6O2Si — CID 172615839

IUPACN-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
SMILESCC1c2nn(COCC[Si](C)(C)C)nc2-c2ccnc(NC(=O)C3CC3)c2N1C
InChIInChI=1S/C20H30N6O2Si/c1-13-16-17(24-26(23-16)12-28-10-11-29(3,4)5)15-8-9-21-19(18(15)25(13)2)22-20(27)14-6-7-14/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,21,22,27)
InChIKeyZQVVELZIDPUUKC-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.51
Rot. Bonds7

About N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide

N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide (PubChem CID 172615839) has the molecular formula C20H30N6O2Si and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
PubChem CID172615839
Molecular FormulaC20H30N6O2Si
Molecular Weight414.59 g/mol
Exact Mass414.22
IUPAC NameN-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
SMILESCC1c2nn(COCC[Si](C)(C)C)nc2-c2ccnc(NC(=O)C3CC3)c2N1C
InChIInChI=1S/C20H30N6O2Si/c1-13-16-17(24-26(23-16)12-28-10-11-29(3,4)5)15-8-9-21-19(18(15)25(13)2)22-20(27)14-6-7-14/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,21,22,27)
InChIKeyZQVVELZIDPUUKC-UHFFFAOYSA-N
XLogP3.51
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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CID 50797166
N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]cyclopropanecarboxamide
CID 122184225
TYK2 inhibitor 18 [WO2023227946]
CID 171663354
(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 118079653
1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-N-(4-fluorophenyl)-2-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 118079655
2-(4-fluorophenyl)-N-[4-[7-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridazin-6-yl]-2-pyridinyl]acetamide
CID 162687643
N-[2-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
CID 170348033
N-[1-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
CID 170348171
N-[3-(difluoromethyl)-4,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
CID 172615765
N-[5-(1,1-difluoropropyl)-4-[(2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 176150386
N-(3-fluoro-2,4,5,8-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
CID 177044539
N-(9-fluoro-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
CID 177044906

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide (CID 172615839) is N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide is CC1c2nn(COCC[Si](C)(C)C)nc2-c2ccnc(NC(=O)C3CC3)c2N1C.
What is the InChIKey of N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is ZQVVELZIDPUUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2Si/c1-13-16-17(24-26(23-16)12-28-10-11-29(3,4)5)15-8-9-21-19(18(15)25(13)2)22-20(27)14-6-7-14/h8-9,13-14H,6-7,10-12H2,1-5H3,(H,21,22,27).
What are the key properties of N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide?
N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 414.59 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 172615839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).