4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C24H26N8O3 — CID 166510274

IUPAC4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NCc2ccc(OC)cc2)cc1Nc1cccc(-c2cnn(C)n2)c1OC
InChIInChI=1S/C24H26N8O3/c1-25-24(33)22-19(12-21(29-30-22)26-13-15-8-10-16(34-3)11-9-15)28-18-7-5-6-17(23(18)35-4)20-14-27-32(2)31-20/h5-12,14H,13H2,1-4H3,(H,25,33)(H2,26,28,29)/i1D3
InChIKeyFHMWKPKHSDOJAM-FIBGUPNXSA-N
MW477.54 g/mol
LogP3.00
Rot. Bonds10

About 4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 166510274) has the molecular formula C24H26N8O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID166510274
Molecular FormulaC24H26N8O3
Molecular Weight477.54 g/mol
Exact Mass477.23
IUPAC Name4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(NCc2ccc(OC)cc2)cc1Nc1cccc(-c2cnn(C)n2)c1OC
InChIInChI=1S/C24H26N8O3/c1-25-24(33)22-19(12-21(29-30-22)26-13-15-8-10-16(34-3)11-9-15)28-18-7-5-6-17(23(18)35-4)20-14-27-32(2)31-20/h5-12,14H,13H2,1-4H3,(H,25,33)(H2,26,28,29)/i1D3
InChIKeyFHMWKPKHSDOJAM-FIBGUPNXSA-N
XLogP3.00
TPSA128.11 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[2-(trideuteriomethyl)triazol-4-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822315
6-amino-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 167560703
6-(cyclopropanecarbonylamino)-4-[3-[2-[2-(ethylamino)-2-oxoethyl]triazol-4-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584963
6-(cyclopropanecarbonylamino)-4-[3-[2-[2-(methanesulfonamido)ethyl]triazol-4-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584870
6-chloro-4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide;4,6-dichloro-N-methylpyridazine-3-carboxamide;2-methoxy-3-(2-methyltriazol-4-yl)aniline
CID 167636599
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(pyridin-2-ylsulfonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157021012
6-(cyclopropanecarbonylamino)-4-[5-ethyl-2-methoxy-3-(2-methyltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 167705488
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 168736606
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-(2-methylimidazol-1-yl)pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171604026
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1,3-oxazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 170775386
4-(2-methoxy-3-pyrimidin-2-ylanilino)-6-[(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028725
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 75202034

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 166510274) is 4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(NCc2ccc(OC)cc2)cc1Nc1cccc(-c2cnn(C)n2)c1OC.
What is the InChIKey of 4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is FHMWKPKHSDOJAM-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-25-24(33)22-19(12-21(29-30-22)26-13-15-8-10-16(34-3)11-9-15)28-18-7-5-6-17(23(18)35-4)20-14-27-32(2)31-20/h5-12,14H,13H2,1-4H3,(H,25,33)(H2,26,28,29)/i1D3.
What are the key properties of 4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.00, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-6-[(4-methoxyphenyl)methylamino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 166510274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).