2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide

C24H28N8O2 — CID 146850768

IUPAC2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide
SMILESCOc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(-n2nnnc2C(C)C)n1
InChIInChI=1S/C24H28N8O2/c1-14(2)23-27-29-30-32(23)22-9-7-8-21(25-22)26-24(33)18-13-17(16(5)12-20(18)34-6)19-10-11-31(28-19)15(3)4/h7-15H,1-6H3,(H,25,26,33)
InChIKeySINIXWMDRDLDIJ-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.19
Rot. Bonds7

About 2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide

2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide (PubChem CID 146850768) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide
PubChem CID146850768
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide
SMILESCOc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(-n2nnnc2C(C)C)n1
InChIInChI=1S/C24H28N8O2/c1-14(2)23-27-29-30-32(23)22-9-7-8-21(25-22)26-24(33)18-13-17(16(5)12-20(18)34-6)19-10-11-31(28-19)15(3)4/h7-15H,1-6H3,(H,25,26,33)
InChIKeySINIXWMDRDLDIJ-UHFFFAOYSA-N
XLogP4.19
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide (CID 146850768) is 2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide is COc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(-n2nnnc2C(C)C)n1.
What is the InChIKey of 2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide?
The InChIKey is SINIXWMDRDLDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-14(2)23-27-29-30-32(23)22-9-7-8-21(25-22)26-24(33)18-13-17(16(5)12-20(18)34-6)19-10-11-31(28-19)15(3)4/h7-15H,1-6H3,(H,25,26,33).
What are the key properties of 2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide?
2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide has a molecular weight of 460.54 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 146850768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).