4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide

C23H26N8O2 — CID 144733464

IUPAC4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide
SMILESCOC(C(C)C)n1nnc(-c2c(-c3ccc(C(=O)Nc4ncccc4C)cc3)cnn2C)n1
InChIInChI=1S/C23H26N8O2/c1-14(2)23(33-5)31-28-21(27-29-31)19-18(13-25-30(19)4)16-8-10-17(11-9-16)22(32)26-20-15(3)7-6-12-24-20/h6-14,23H,1-5H3,(H,24,26,32)
InChIKeyZEXNZHAASWLAKY-UHFFFAOYSA-N
MW446.52 g/mol
LogP3.50
Rot. Bonds7

About 4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide

4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 144733464) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID144733464
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide
SMILESCOC(C(C)C)n1nnc(-c2c(-c3ccc(C(=O)Nc4ncccc4C)cc3)cnn2C)n1
InChIInChI=1S/C23H26N8O2/c1-14(2)23(33-5)31-28-21(27-29-31)19-18(13-25-30(19)4)16-8-10-17(11-9-16)22(32)26-20-15(3)7-6-12-24-20/h6-14,23H,1-5H3,(H,24,26,32)
InChIKeyZEXNZHAASWLAKY-UHFFFAOYSA-N
XLogP3.50
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide (CID 144733464) is 4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide is COC(C(C)C)n1nnc(-c2c(-c3ccc(C(=O)Nc4ncccc4C)cc3)cnn2C)n1.
What is the InChIKey of 4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is ZEXNZHAASWLAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-14(2)23(33-5)31-28-21(27-29-31)19-18(13-25-30(19)4)16-8-10-17(11-9-16)22(32)26-20-15(3)7-6-12-24-20/h6-14,23H,1-5H3,(H,24,26,32).
What are the key properties of 4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide?
4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 446.52 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(1-methoxy-2-methylpropyl)tetrazol-5-yl]-1-methylpyrazol-4-yl]-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 144733464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).