3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide

C17H20N6O2 — CID 146381369

IUPAC3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2cncn2C(C)C)n1
InChIInChI=1S/C17H20N6O2/c1-11(2)23-10-18-8-14(23)13-6-5-7-15(19-13)20-16(24)12-9-22(3)21-17(12)25-4/h5-11H,1-4H3,(H,19,20,24)
InChIKeyFDGHCHUHLVBKLS-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.52
Rot. Bonds5

About 3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146381369) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID146381369
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2cncn2C(C)C)n1
InChIInChI=1S/C17H20N6O2/c1-11(2)23-10-18-8-14(23)13-6-5-7-15(19-13)20-16(24)12-9-22(3)21-17(12)25-4/h5-11H,1-4H3,(H,19,20,24)
InChIKeyFDGHCHUHLVBKLS-UHFFFAOYSA-N
XLogP2.52
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide (CID 146381369) is 3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1cccc(-c2cncn2C(C)C)n1.
What is the InChIKey of 3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is FDGHCHUHLVBKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-11(2)23-10-18-8-14(23)13-6-5-7-15(19-13)20-16(24)12-9-22(3)21-17(12)25-4/h5-11H,1-4H3,(H,19,20,24).
What are the key properties of 3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[6-(3-propan-2-ylimidazol-4-yl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146381369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).