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6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C24H26N8O4 — CID 157028726

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nccc(C(=O)N(C)C)n2)c1OC
InChIInChI=1S/C24H26N8O4/c1-25-23(34)19-17(12-18(30-31-19)29-22(33)13-8-9-13)27-15-7-5-6-14(20(15)36-4)21-26-11-10-16(28-21)24(35)32(2)3/h5-7,10-13H,8-9H2,1-4H3,(H,25,34)(H2,27,29,30,33)/i1D3
InChIKeyPSWKVYBUTYOIKS-FIBGUPNXSA-N
MW493.54 g/mol
LogP2.10
Rot. Bonds9

About 6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 157028726) has the molecular formula C24H26N8O4 and a molecular weight of 493.54 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID157028726
Molecular FormulaC24H26N8O4
Molecular Weight493.54 g/mol
Exact Mass493.23
IUPAC Name6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nccc(C(=O)N(C)C)n2)c1OC
InChIInChI=1S/C24H26N8O4/c1-25-23(34)19-17(12-18(30-31-19)29-22(33)13-8-9-13)27-15-7-5-6-14(20(15)36-4)21-26-11-10-16(28-21)24(35)32(2)3/h5-7,10-13H,8-9H2,1-4H3,(H,25,34)(H2,27,29,30,33)/i1D3
InChIKeyPSWKVYBUTYOIKS-FIBGUPNXSA-N
XLogP2.10
TPSA151.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 157028726) is 6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nccc(C(=O)N(C)C)n2)c1OC.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is PSWKVYBUTYOIKS-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H26N8O4/c1-25-23(34)19-17(12-18(30-31-19)29-22(33)13-8-9-13)27-15-7-5-6-14(20(15)36-4)21-26-11-10-16(28-21)24(35)32(2)3/h5-7,10-13H,8-9H2,1-4H3,(H,25,34)(H2,27,29,30,33)/i1D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 493.54 g/mol, XLogP of 2.10, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[3-[4-(dimethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 157028726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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