6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C24H25FN10O2 — CID 158832846

IUPAC6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(C)(C)N)cn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C24H25FN10O2/c1-24(2,26)13-5-6-17(29-10-13)33-18-9-16(19(35-34-18)23(36)27-3)32-22-20(37-4)15(7-8-28-22)21-30-11-14(25)12-31-21/h5-12H,26H2,1-4H3,(H,27,36)(H2,28,29,32,33,34)/i3D3
InChIKeyIXGNMCYVVAUVDX-HPRDVNIFSA-N
MW507.55 g/mol
LogP2.91
Rot. Bonds9

About 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 158832846) has the molecular formula C24H25FN10O2 and a molecular weight of 507.55 g/mol. Its IUPAC name is 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID158832846
Molecular FormulaC24H25FN10O2
Molecular Weight507.55 g/mol
Exact Mass507.23
IUPAC Name6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(C)(C)N)cn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C24H25FN10O2/c1-24(2,26)13-5-6-17(29-10-13)33-18-9-16(19(35-34-18)23(36)27-3)32-22-20(37-4)15(7-8-28-22)21-30-11-14(25)12-31-21/h5-12H,26H2,1-4H3,(H,27,36)(H2,28,29,32,33,34)/i3D3
InChIKeyIXGNMCYVVAUVDX-HPRDVNIFSA-N
XLogP2.91
TPSA165.75 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.55
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]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 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 158832846) is 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C(C)(C)N)cn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC.
What is the InChIKey of 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is IXGNMCYVVAUVDX-HPRDVNIFSA-N. The full InChI is InChI=1S/C24H25FN10O2/c1-24(2,26)13-5-6-17(29-10-13)33-18-9-16(19(35-34-18)23(36)27-3)32-22-20(37-4)15(7-8-28-22)21-30-11-14(25)12-31-21/h5-12H,26H2,1-4H3,(H,27,36)(H2,28,29,32,33,34)/i3D3.
What are the key properties of 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 507.55 g/mol, XLogP of 2.91, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-aminopropan-2-yl)-2-pyridinyl]amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 158832846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).