4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C17H17FN8O — CID 175978022

IUPAC4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnccc1Nc1c(F)ccc2c1N(C)Cc1nc(C)nn1-2
InChIInChI=1S/C17H17FN8O/c1-9-21-13-8-25(3)16-12(26(13)24-9)5-4-10(18)14(16)22-11-6-7-20-23-15(11)17(27)19-2/h4-7H,8H2,1-3H3,(H,19,27)(H,20,22)/i2D3
InChIKeyJVQBRODSQQFCKN-BMSJAHLVSA-N
MW371.39 g/mol
LogP1.56
Rot. Bonds4

About 4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 175978022) has the molecular formula C17H17FN8O and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID175978022
Molecular FormulaC17H17FN8O
Molecular Weight371.39 g/mol
Exact Mass371.17
IUPAC Name4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnccc1Nc1c(F)ccc2c1N(C)Cc1nc(C)nn1-2
InChIInChI=1S/C17H17FN8O/c1-9-21-13-8-25(3)16-12(26(13)24-9)5-4-10(18)14(16)22-11-6-7-20-23-15(11)17(27)19-2/h4-7H,8H2,1-3H3,(H,19,27)(H,20,22)/i2D3
InChIKeyJVQBRODSQQFCKN-BMSJAHLVSA-N
XLogP1.56
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963350
4-[(2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-6-(2-methylpropanoylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902987
4-[(6-methyl-5H-pyrimido[5,4-c]quinolin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963342
4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963348
N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine
CID 164902941
4-[(4,4-dideuterio-2,5-dimethyltriazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175977984
10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
CID 164902869
6-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-[(8-methyl-2,3,4,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 172615912
N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide
CID 164903013
8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline
CID 170960633
4-[4-(1-propan-2-ylpyrazol-4-yl)-2-(trifluoromethoxy)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175969948
ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline
CID 170960632

Frequently Asked Questions

What is the IUPAC name of 4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 175978022) is 4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnccc1Nc1c(F)ccc2c1N(C)Cc1nc(C)nn1-2.
What is the InChIKey of 4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is JVQBRODSQQFCKN-BMSJAHLVSA-N. The full InChI is InChI=1S/C17H17FN8O/c1-9-21-13-8-25(3)16-12(26(13)24-9)5-4-10(18)14(16)22-11-6-7-20-23-15(11)17(27)19-2/h4-7H,8H2,1-3H3,(H,19,27)(H,20,22)/i2D3.
What are the key properties of 4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 175978022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).