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

C24H24N10O3 — CID 157028725

IUPAC4-(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
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc3n(n2)CCN(C)C3=O)cc1Nc1cccc(-c2ncccn2)c1OC
InChIInChI=1S/C24H24N10O3/c1-25-23(35)20-16(28-15-7-4-6-14(21(15)37-3)22-26-8-5-9-27-22)12-18(30-31-20)29-19-13-17-24(36)33(2)10-11-34(17)32-19/h4-9,12-13H,10-11H2,1-3H3,(H,25,35)(H2,28,29,30,32)/i1D3
InChIKeyLLUCHMYYGISCLT-FIBGUPNXSA-N
MW503.54 g/mol
LogP2.07
Rot. Bonds8

About 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

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 (PubChem CID 157028725) has the molecular formula C24H24N10O3 and a molecular weight of 503.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID157028725
Molecular FormulaC24H24N10O3
Molecular Weight503.54 g/mol
Exact Mass503.22
IUPAC Name4-(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
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc3n(n2)CCN(C)C3=O)cc1Nc1cccc(-c2ncccn2)c1OC
InChIInChI=1S/C24H24N10O3/c1-25-23(35)20-16(28-15-7-4-6-14(21(15)37-3)22-26-8-5-9-27-22)12-18(30-31-20)29-19-13-17-24(36)33(2)10-11-34(17)32-19/h4-9,12-13H,10-11H2,1-3H3,(H,25,35)(H2,28,29,30,32)/i1D3
InChIKeyLLUCHMYYGISCLT-FIBGUPNXSA-N
XLogP2.07
TPSA152.08 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.54
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc3n(n2)CCN(C)C3=O)cc1Nc1cccc(-c2ncccn2)c1OC.
What is the InChIKey of 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?
The InChIKey is LLUCHMYYGISCLT-FIBGUPNXSA-N. The full InChI is InChI=1S/C24H24N10O3/c1-25-23(35)20-16(28-15-7-4-6-14(21(15)37-3)22-26-8-5-9-27-22)12-18(30-31-20)29-19-13-17-24(36)33(2)10-11-34(17)32-19/h4-9,12-13H,10-11H2,1-3H3,(H,25,35)(H2,28,29,30,32)/i1D3.
What are the key properties of 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?
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 has a molecular weight of 503.54 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157028725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).