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

C21H17F2N9O2 — CID 158477814

IUPAC6-[(4-fluoro-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(Nc2cc(F)ccn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C21H17F2N9O2/c1-24-21(33)17-14(8-16(31-32-17)30-15-7-11(22)3-5-25-15)29-20-18(34-2)13(4-6-26-20)19-27-9-12(23)10-28-19/h3-10H,1-2H3,(H,24,33)(H2,25,26,29,30,31)/i1D3
InChIKeyHHDNMOUNRJAVND-FIBGUPNXSA-N
MW468.44 g/mol
LogP2.86
Rot. Bonds8

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

6-[(4-fluoro-2-pyridinyl)amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 158477814) has the molecular formula C21H17F2N9O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 6-[(4-fluoro-2-pyridinyl)amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-fluoro-2-pyridinyl)amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID158477814
Molecular FormulaC21H17F2N9O2
Molecular Weight468.44 g/mol
Exact Mass468.17
IUPAC Name6-[(4-fluoro-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(Nc2cc(F)ccn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C21H17F2N9O2/c1-24-21(33)17-14(8-16(31-32-17)30-15-7-11(22)3-5-25-15)29-20-18(34-2)13(4-6-26-20)19-27-9-12(23)10-28-19/h3-10H,1-2H3,(H,24,33)(H2,25,26,29,30,31)/i1D3
InChIKeyHHDNMOUNRJAVND-FIBGUPNXSA-N
XLogP2.86
TPSA139.73 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[(4-fluoro-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-[(4-fluoro-2-pyridinyl)amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-fluoro-2-pyridinyl)amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 158477814) is 6-[(4-fluoro-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-[(4-fluoro-2-pyridinyl)amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-fluoro-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(Nc2cc(F)ccn2)cc1Nc1nccc(-c2ncc(F)cn2)c1OC.
What is the InChIKey of 6-[(4-fluoro-2-pyridinyl)amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is HHDNMOUNRJAVND-FIBGUPNXSA-N. The full InChI is InChI=1S/C21H17F2N9O2/c1-24-21(33)17-14(8-16(31-32-17)30-15-7-11(22)3-5-25-15)29-20-18(34-2)13(4-6-26-20)19-27-9-12(23)10-28-19/h3-10H,1-2H3,(H,24,33)(H2,25,26,29,30,31)/i1D3.
What are the key properties of 6-[(4-fluoro-2-pyridinyl)amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-[(4-fluoro-2-pyridinyl)amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-2-pyridinyl)amino]-4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 158477814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).