6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide

C23H26N8O3 — CID 154662987

IUPAC6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(C(=O)NC2CC2)cc1Nc1cccc(-c2ncn(CC3CC3)n2)c1OC
InChIInChI=1S/C23H26N8O3/c1-24-23(33)19-17(10-18(28-29-19)22(32)26-14-8-9-14)27-16-5-3-4-15(20(16)34-2)21-25-12-31(30-21)11-13-6-7-13/h3-5,10,12-14H,6-9,11H2,1-2H3,(H,24,33)(H,26,32)(H,27,28)/i1D3
InChIKeyHFKPBUVIISURBS-FIBGUPNXSA-N
MW465.53 g/mol
LogP2.15
Rot. Bonds10

About 6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide

6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide (PubChem CID 154662987) has the molecular formula C23H26N8O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide.

Molecular Properties

Compound Name6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide
PubChem CID154662987
Molecular FormulaC23H26N8O3
Molecular Weight465.53 g/mol
Exact Mass465.23
IUPAC Name6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(C(=O)NC2CC2)cc1Nc1cccc(-c2ncn(CC3CC3)n2)c1OC
InChIInChI=1S/C23H26N8O3/c1-24-23(33)19-17(10-18(28-29-19)22(32)26-14-8-9-14)27-16-5-3-4-15(20(16)34-2)21-25-12-31(30-21)11-13-6-7-13/h3-5,10,12-14H,6-9,11H2,1-2H3,(H,24,33)(H,26,32)(H,27,28)/i1D3
InChIKeyHFKPBUVIISURBS-FIBGUPNXSA-N
XLogP2.15
TPSA135.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

6-N-cyclopropyl-4-[3-(1-cyclopropyl-1,2,4-triazol-3-yl)-5-fluoro-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide
CID 154663037
4-[3-[1-(1-bicyclo[1.1.1]pentanylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157021030
4-[3-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 170928308
6-[cyclopropanecarbonyl(propan-2-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171457746
5-(cyclopropanecarbonylamino)-6-fluoro-3-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 167316505
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(3-methyl-2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 155270630
6-[(3-ethenyloxetan-3-yl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 154662995
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-prop-2-ynyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157020994
6-(cyclopropanecarbonylamino)-4-[3-[5-(diethylcarbamoyl)pyrimidin-2-yl]-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157028701
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]pyrimidine-5-carboxylic acid
CID 157028739
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[2-oxo-3-(oxolan-3-yl)imidazolidin-1-yl]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 177373601
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

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide?
The IUPAC name of 6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide (CID 154662987) is 6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide.
What is the SMILES notation for 6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide?
The canonical SMILES for 6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(C(=O)NC2CC2)cc1Nc1cccc(-c2ncn(CC3CC3)n2)c1OC.
What is the InChIKey of 6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide?
The InChIKey is HFKPBUVIISURBS-FIBGUPNXSA-N. The full InChI is InChI=1S/C23H26N8O3/c1-24-23(33)19-17(10-18(28-29-19)22(32)26-14-8-9-14)27-16-5-3-4-15(20(16)34-2)21-25-12-31(30-21)11-13-6-7-13/h3-5,10,12-14H,6-9,11H2,1-2H3,(H,24,33)(H,26,32)(H,27,28)/i1D3.
What are the key properties of 6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide?
6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide has a molecular weight of 465.53 g/mol, XLogP of 2.15, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-4-[3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-3-N-(trideuteriomethyl)pyridazine-3,6-dicarboxamide is sourced from PubChem (CID 154662987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).