4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide

C21H26N10O3 — CID 159310768

IUPAC4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(N2CCN(C(C)C)C2=O)cc1Nc1nccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C21H26N10O3/c1-12(2)30-8-9-31(21(30)33)15-10-14(16(27-26-15)20(32)22-3)25-19-17(34-5)13(6-7-23-19)18-24-11-29(4)28-18/h6-7,10-12H,8-9H2,1-5H3,(H,22,32)(H,23,25,26)
InChIKeyRHVSHKXXVLQMQN-UHFFFAOYSA-N
MW466.51 g/mol
LogP1.43
Rot. Bonds7

About 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide

4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide (PubChem CID 159310768) has the molecular formula C21H26N10O3 and a molecular weight of 466.51 g/mol. Its IUPAC name is 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide
PubChem CID159310768
Molecular FormulaC21H26N10O3
Molecular Weight466.51 g/mol
Exact Mass466.22
IUPAC Name4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(N2CCN(C(C)C)C2=O)cc1Nc1nccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C21H26N10O3/c1-12(2)30-8-9-31(21(30)33)15-10-14(16(27-26-15)20(32)22-3)25-19-17(34-5)13(6-7-23-19)18-24-11-29(4)28-18/h6-7,10-12H,8-9H2,1-5H3,(H,22,32)(H,23,25,26)
InChIKeyRHVSHKXXVLQMQN-UHFFFAOYSA-N
XLogP1.43
TPSA143.29 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide (CID 159310768) is 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide is CNC(=O)c1nnc(N2CCN(C(C)C)C2=O)cc1Nc1nccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide?
The InChIKey is RHVSHKXXVLQMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N10O3/c1-12(2)30-8-9-31(21(30)33)15-10-14(16(27-26-15)20(32)22-3)25-19-17(34-5)13(6-7-23-19)18-24-11-29(4)28-18/h6-7,10-12H,8-9H2,1-5H3,(H,22,32)(H,23,25,26).
What are the key properties of 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide?
4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-methyl-6-(2-oxo-3-propan-2-ylimidazolidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 159310768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).