6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C23H22FN7O2 — CID 164902747

IUPAC6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[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])c1cc(F)cnc1-2
InChIInChI=1S/C23H22FN7O2/c1-25-23(33)20-17(9-18(29-30-20)28-22(32)12-6-7-12)27-16-5-3-4-15-19-13(8-14(24)10-26-19)11-31(2)21(15)16/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,25,33)(H2,27,28,29,32)/i1D3,11D2
InChIKeyWDMBGOZBLSCYFS-JIZANVDTSA-N
MW452.50 g/mol
LogP3.08
Rot. Bonds6

About 6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 164902747) has the molecular formula C23H22FN7O2 and a molecular weight of 452.50 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID164902747
Molecular FormulaC23H22FN7O2
Molecular Weight452.50 g/mol
Exact Mass452.21
IUPAC Name6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[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])c1cc(F)cnc1-2
InChIInChI=1S/C23H22FN7O2/c1-25-23(33)20-17(9-18(29-30-20)28-22(32)12-6-7-12)27-16-5-3-4-15-19-13(8-14(24)10-26-19)11-31(2)21(15)16/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,25,33)(H2,27,28,29,32)/i1D3,11D2
InChIKeyWDMBGOZBLSCYFS-JIZANVDTSA-N
XLogP3.08
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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
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
6-(cyclopropanecarbonylamino)-4-[(2',5'-dimethylspiro[oxetane-3,4'-triazolo[4,5-c]quinoline]-6'-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 172615679
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridazine-3-carboxamide
CID 164944216
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-[(2,5-dimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164902968
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]pyrimidine-5-carboxylic acid
CID 157028739
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-[2-(trideuteriomethyl)triazol-4-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822315
6-(cyclopropanecarbonylamino)-4-[[5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c][1,6]naphthyridin-6-yl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 164944175
4-[3-(5-amino-1,3-thiazol-2-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584853
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(2-methylimidazol-1-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171604026

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 164902747) is 6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[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])c1cc(F)cnc1-2.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is WDMBGOZBLSCYFS-JIZANVDTSA-N. The full InChI is InChI=1S/C23H22FN7O2/c1-25-23(33)20-17(9-18(29-30-20)28-22(32)12-6-7-12)27-16-5-3-4-15-19-13(8-14(24)10-26-19)11-31(2)21(15)16/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,25,33)(H2,27,28,29,32)/i1D3,11D2.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[(5,5-dideuterio-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 452.50 g/mol, XLogP of 3.08, 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-3-fluoro-6-methylbenzo[h][1,6]naphthyridin-7-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 164902747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).