6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C21H21ClN10O2 — CID 161345578

About 6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 161345578) has the molecular formula C21H21ClN10O2 and a molecular weight of 483.94 g/mol. Its IUPAC name is 6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• PubChem CID: 161345578
• Molecular Formula: C21H21ClN10O2
• Molecular Weight: 483.94 g/mol
• Exact Mass: 483.17
• IUPAC Name: 6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
• SMILES: [2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(C)c(Cl)cn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
• InChI: InChI=1S/C21H21ClN10O2/c1-11-7-15(25-9-13(11)22)28-16-8-14(17(30-29-16)21(33)23-2)27-20-18(34-4)12(5-6-24-20)19-26-10-32(3)31-19/h5-10H,1-4H3,(H,23,33)(H2,24,25,27,28,29)/i2D3
• InChIKey: VNGBFCSVGRFCRH-BMSJAHLVSA-N
• XLogP: 2.88
• TPSA: 144.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.94
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The IUPAC name of 6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 161345578) is 6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

What is the SMILES notation for 6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The canonical SMILES for 6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Nc2cc(C)c(Cl)cn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC.

What is the InChIKey of 6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

The InChIKey is VNGBFCSVGRFCRH-BMSJAHLVSA-N. The full InChI is InChI=1S/C21H21ClN10O2/c1-11-7-15(25-9-13(11)22)28-16-8-14(17(30-29-16)21(33)23-2)27-20-18(34-4)12(5-6-24-20)19-26-10-32(3)31-19/h5-10H,1-4H3,(H,23,33)(H2,24,25,27,28,29)/i2D3.

What are the key properties of 6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?

6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 483.94 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 161345578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).