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

C22H24N10O2 — CID 157409149

IUPAC6-[(4,5-dimethyl-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(C)cn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C22H24N10O2/c1-12-8-16(25-10-13(12)2)28-17-9-15(18(30-29-17)22(33)23-3)27-21-19(34-5)14(6-7-24-21)20-26-11-32(4)31-20/h6-11H,1-5H3,(H,23,33)(H2,24,25,27,28,29)/i3D3
InChIKeyBOBOVZMIAKRHSA-HPRDVNIFSA-N
MW463.52 g/mol
LogP2.53
Rot. Bonds8

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

6-[(4,5-dimethyl-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 157409149) has the molecular formula C22H24N10O2 and a molecular weight of 463.52 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-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 Name6-[(4,5-dimethyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID157409149
Molecular FormulaC22H24N10O2
Molecular Weight463.52 g/mol
Exact Mass463.23
IUPAC Name6-[(4,5-dimethyl-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(C)cn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C22H24N10O2/c1-12-8-16(25-10-13(12)2)28-17-9-15(18(30-29-17)22(33)23-3)27-21-19(34-5)14(6-7-24-21)20-26-11-32(4)31-20/h6-11H,1-5H3,(H,23,33)(H2,24,25,27,28,29)/i3D3
InChIKeyBOBOVZMIAKRHSA-HPRDVNIFSA-N
XLogP2.53
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.52
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-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-[(4,5-dimethyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 157409149) is 6-[(4,5-dimethyl-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-[(4,5-dimethyl-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-[(4,5-dimethyl-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(C)cn2)cc1Nc1nccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of 6-[(4,5-dimethyl-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 BOBOVZMIAKRHSA-HPRDVNIFSA-N. The full InChI is InChI=1S/C22H24N10O2/c1-12-8-16(25-10-13(12)2)28-17-9-15(18(30-29-17)22(33)23-3)27-21-19(34-5)14(6-7-24-21)20-26-11-32(4)31-20/h6-11H,1-5H3,(H,23,33)(H2,24,25,27,28,29)/i3D3.
What are the key properties of 6-[(4,5-dimethyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-[(4,5-dimethyl-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 463.52 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-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 157409149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).