N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C29H35F2N7O3Si — CID 178122499

IUPACN-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESC[Si](C)(C)CCOCn1cc(-c2nc3ccc(N4CCC(F)(F)CC4)cn3n2)c2cc(NC(=O)C3CC3)ncc2c1=O
InChIInChI=1S/C29H35F2N7O3Si/c1-42(2,3)13-12-41-18-37-17-23(21-14-24(32-15-22(21)28(37)40)33-27(39)19-4-5-19)26-34-25-7-6-20(16-38(25)35-26)36-10-8-29(30,31)9-11-36/h6-7,14-17,19H,4-5,8-13,18H2,1-3H3,(H,32,33,39)
InChIKeyMOPNCQFMHFFNFV-UHFFFAOYSA-N
MW595.73 g/mol
LogP5.00
Rot. Bonds9

About N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 178122499) has the molecular formula C29H35F2N7O3Si and a molecular weight of 595.73 g/mol. Its IUPAC name is N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID178122499
Molecular FormulaC29H35F2N7O3Si
Molecular Weight595.73 g/mol
Exact Mass595.25
IUPAC NameN-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESC[Si](C)(C)CCOCn1cc(-c2nc3ccc(N4CCC(F)(F)CC4)cn3n2)c2cc(NC(=O)C3CC3)ncc2c1=O
InChIInChI=1S/C29H35F2N7O3Si/c1-42(2,3)13-12-41-18-37-17-23(21-14-24(32-15-22(21)28(37)40)33-27(39)19-4-5-19)26-34-25-7-6-20(16-38(25)35-26)36-10-8-29(30,31)9-11-36/h6-7,14-17,19H,4-5,8-13,18H2,1-3H3,(H,32,33,39)
InChIKeyMOPNCQFMHFFNFV-UHFFFAOYSA-N
XLogP5.00
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.73
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[5-[6-[(3S)-3,4-dimethylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122938
N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122048
N-[8-methoxy-5-(6-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122220
N-[5-[6-(4-fluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677966
N-[5-[6-(3,3-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-ethyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122962
N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122976
N-[8-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122767
N-[8-(methylamino)-5-[6-[(2R)-2-methylmorpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677742
N-[8-ethyl-5-[6-(7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122060
N-[8-(methylamino)-5-[6-(7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627138
N-[5-[6-[2-(2-hydroxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677663
N-[5-[6-[(2R)-2-(2-methoxypropan-2-yl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678071

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 178122499) is N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is C[Si](C)(C)CCOCn1cc(-c2nc3ccc(N4CCC(F)(F)CC4)cn3n2)c2cc(NC(=O)C3CC3)ncc2c1=O.
What is the InChIKey of N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is MOPNCQFMHFFNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2N7O3Si/c1-42(2,3)13-12-41-18-37-17-23(21-14-24(32-15-22(21)28(37)40)33-27(39)19-4-5-19)26-34-25-7-6-20(16-38(25)35-26)36-10-8-29(30,31)9-11-36/h6-7,14-17,19H,4-5,8-13,18H2,1-3H3,(H,32,33,39).
What are the key properties of N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 595.73 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(4,4-difluoropiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 178122499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).