6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C24H24F3N7O4 — CID 162643883

IUPAC6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(C(C)(O)C(F)(F)F)cn2)c1OC
InChIInChI=1S/C24H24F3N7O4/c1-23(37,24(25,26)27)13-10-29-20(30-11-13)14-5-4-6-15(19(14)38-3)31-16-9-17(32-21(35)12-7-8-12)33-34-18(16)22(36)28-2/h4-6,9-12,37H,7-8H2,1-3H3,(H,28,36)(H2,31,32,33,35)/i2D3
InChIKeyCPPQJXUUHRZJSG-BMSJAHLVSA-N
MW534.51 g/mol
LogP3.16
Rot. Bonds9

About 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 162643883) has the molecular formula C24H24F3N7O4 and a molecular weight of 534.51 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID162643883
Molecular FormulaC24H24F3N7O4
Molecular Weight534.51 g/mol
Exact Mass534.20
IUPAC Name6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(C(C)(O)C(F)(F)F)cn2)c1OC
InChIInChI=1S/C24H24F3N7O4/c1-23(37,24(25,26)27)13-10-29-20(30-11-13)14-5-4-6-15(19(14)38-3)31-16-9-17(32-21(35)12-7-8-12)33-34-18(16)22(36)28-2/h4-6,9-12,37H,7-8H2,1-3H3,(H,28,36)(H2,31,32,33,35)/i2D3
InChIKeyCPPQJXUUHRZJSG-BMSJAHLVSA-N
XLogP3.16
TPSA151.25 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.51
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide with MolForge

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Related Compounds

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6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
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US11053219, Example 28
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6-(cyclopropanecarbonylamino)-4-[3-[5-(diethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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6-(cyclopropanecarbonylamino)-4-[3-[5-(dimethylcarbamoyl)pyrimidin-2-yl]-5-fluoro-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
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6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrimidin-2-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028734
6-(cyclopropanecarbonylamino)-4-[3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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6-(cyclopropanecarbonylamino)-4-[3-[5-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
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6-(cyclopropanecarbonylamino)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 162643883) is 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(C(C)(O)C(F)(F)F)cn2)c1OC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is CPPQJXUUHRZJSG-BMSJAHLVSA-N. The full InChI is InChI=1S/C24H24F3N7O4/c1-23(37,24(25,26)27)13-10-29-20(30-11-13)14-5-4-6-15(19(14)38-3)31-16-9-17(32-21(35)12-7-8-12)33-34-18(16)22(36)28-2/h4-6,9-12,37H,7-8H2,1-3H3,(H,28,36)(H2,31,32,33,35)/i2D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 534.51 g/mol, XLogP of 3.16, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 162643883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).