6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C24H22F3N7O2 — CID 164902794

IUPAC6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)C([2H])([2H])c1ccc(C(F)(F)F)nc1-2
InChIInChI=1S/C24H22F3N7O2/c1-28-23(36)20-16(10-18(32-33-20)31-22(35)12-6-7-12)29-15-5-3-4-14-19-13(11-34(2)21(14)15)8-9-17(30-19)24(25,26)27/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,28,36)(H2,29,31,32,35)/i1D3,11D2
InChIKeyXJWKOLCFRIVCGZ-JIZANVDTSA-N
MW502.51 g/mol
LogP3.96
Rot. Bonds6

About 6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 164902794) has the molecular formula C24H22F3N7O2 and a molecular weight of 502.51 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID164902794
Molecular FormulaC24H22F3N7O2
Molecular Weight502.51 g/mol
Exact Mass502.21
IUPAC Name6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)C([2H])([2H])c1ccc(C(F)(F)F)nc1-2
InChIInChI=1S/C24H22F3N7O2/c1-28-23(36)20-16(10-18(32-33-20)31-22(35)12-6-7-12)29-15-5-3-4-14-19-13(11-34(2)21(14)15)8-9-17(30-19)24(25,26)27/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,28,36)(H2,29,31,32,35)/i1D3,11D2
InChIKeyXJWKOLCFRIVCGZ-JIZANVDTSA-N
XLogP3.96
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.51
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide with MolForge

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-2,6-dimethylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902722
4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963348
6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164902747
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164944216
6-(cyclopropanecarbonylamino)-4-[(2',5'-dimethylspiro[oxetane-3,4'-triazolo[4,5-c]quinoline]-6'-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 172615679
N-[4-[(5,5-dideuterio-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600162
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1,3-oxazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 170775386
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 75202034
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]pyrimidine-5-carboxylic acid
CID 157028739
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171604042
6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028726
6-(cyclopropanecarbonylamino)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157021020

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 164902794) is 6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc2c1N(C)C([2H])([2H])c1ccc(C(F)(F)F)nc1-2.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is XJWKOLCFRIVCGZ-JIZANVDTSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c1-28-23(36)20-16(10-18(32-33-20)31-22(35)12-6-7-12)29-15-5-3-4-14-19-13(11-34(2)21(14)15)8-9-17(30-19)24(25,26)27/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,28,36)(H2,29,31,32,35)/i1D3,11D2.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 502.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[[5,5-dideuterio-6-methyl-2-(trifluoromethyl)benzo[h][1,6]naphthyridin-7-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 164902794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).