3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one

C24H22F2N6O3 — CID 172696829

IUPAC3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one
SMILES[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3nnc(OC(C)C(F)F)cc32)cc1
InChIInChI=1S/C24H22F2N6O3/c1-14(23(25)26)35-22-11-21-20(27-28-22)13-31(17-6-9-19-15(10-17)12-30(2)29-19)24(33)32(21)16-4-7-18(34-3)8-5-16/h4-12,14,23H,13H2,1-3H3/i3D3
InChIKeyCKVQBJAGJVKQBD-HPRDVNIFSA-N
MW483.49 g/mol
LogP4.68
Rot. Bonds7

About 3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one

3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one (PubChem CID 172696829) has the molecular formula C24H22F2N6O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one
PubChem CID172696829
Molecular FormulaC24H22F2N6O3
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one
SMILES[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3nnc(OC(C)C(F)F)cc32)cc1
InChIInChI=1S/C24H22F2N6O3/c1-14(23(25)26)35-22-11-21-20(27-28-22)13-31(17-6-9-19-15(10-17)12-30(2)29-19)24(33)32(21)16-4-7-18(34-3)8-5-16/h4-12,14,23H,13H2,1-3H3/i3D3
InChIKeyCKVQBJAGJVKQBD-HPRDVNIFSA-N
XLogP4.68
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one
CID 161210181
1-(4-chlorophenyl)-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one;5-[4-(difluoromethoxy)phenyl]-3-ethoxy-7-(2-methylindazol-5-yl)-8H-pyrimido[5,4-c]pyridazin-6-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-quinazolin-2-one
CID 165014372
7-(2,2-difluoroethoxy)-3-(2,3-dimethylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[3,2-d]pyrimidin-2-one
CID 172723285
7-(2,2-difluoroethoxy)-3-(3-methylbenzimidazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[4,3-d]pyrimidin-2-one
CID 172698772
7-(2,2-difluoroethoxy)-3-(3-methoxy-2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-quinazolin-2-one
CID 158532850
5-[(2,4-dimethoxyphenyl)methylamino]-3-(2-methylindazol-5-yl)-7-methylsulfanyl-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 154963821
1-(2-methylindazol-5-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670795
7,7-dideuterio-6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-(trideuteriomethoxy)pyrrolo[3,4-b]pyridin-5-one
CID 171760497
1-(2-methylindazol-5-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711992
4-(aminomethyl)-1-(2-methylindazol-5-yl)pyrrolidin-2-one
CID 168660099
7,7-dideuterio-6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-(trideuteriomethoxy)pyrrolo[3,4-b]pyridin-5-one
CID 171760511
4-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(trideuteriomethyl)indazol-5-yl]-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 175731285

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one?
The IUPAC name of 3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one (CID 172696829) is 3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one.
What is the SMILES notation for 3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one?
The canonical SMILES for 3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one is [2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3nnc(OC(C)C(F)F)cc32)cc1.
What is the InChIKey of 3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one?
The InChIKey is CKVQBJAGJVKQBD-HPRDVNIFSA-N. The full InChI is InChI=1S/C24H22F2N6O3/c1-14(23(25)26)35-22-11-21-20(27-28-22)13-31(17-6-9-19-15(10-17)12-30(2)29-19)24(33)32(21)16-4-7-18(34-3)8-5-16/h4-12,14,23H,13H2,1-3H3/i3D3.
What are the key properties of 3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one?
3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one has a molecular weight of 483.49 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-yloxy)-7-(2-methylindazol-5-yl)-5-[4-(trideuteriomethoxy)phenyl]-8H-pyrimido[5,4-c]pyridazin-6-one is sourced from PubChem (CID 172696829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).