2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid

C19H25N7O2 — CID 129240176

About 2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid

2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid (PubChem CID 129240176) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid.

Molecular Properties

• Compound Name: 2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid
• PubChem CID: 129240176
• Molecular Formula: C19H25N7O2
• Molecular Weight: 383.46 g/mol
• Exact Mass: 383.21
• IUPAC Name: 2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid
• SMILES: CCCC(C(=O)O)[C@H](Cc1ccc(-c2c(C)nn(C)c2C)nc1)c1nn[nH]n1
• InChI: InChI=1S/C19H25N7O2/c1-5-6-14(19(27)28)15(18-21-24-25-22-18)9-13-7-8-16(20-10-13)17-11(2)23-26(4)12(17)3/h7-8,10,14-15H,5-6,9H2,1-4H3,(H,27,28)(H,21,22,24,25)/t14?,15-/m0/s1
• InChIKey: BOQRYNSHZLGKBS-LOACHALJSA-N
• XLogP: 2.44
• TPSA: 122.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.46
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid?

The IUPAC name of 2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid (CID 129240176) is 2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid.

What is the SMILES notation for 2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid?

The canonical SMILES for 2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid is CCCC(C(=O)O)[C@H](Cc1ccc(-c2c(C)nn(C)c2C)nc1)c1nn[nH]n1.

What is the InChIKey of 2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid?

The InChIKey is BOQRYNSHZLGKBS-LOACHALJSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-5-6-14(19(27)28)15(18-21-24-25-22-18)9-13-7-8-16(20-10-13)17-11(2)23-26(4)12(17)3/h7-8,10,14-15H,5-6,9H2,1-4H3,(H,27,28)(H,21,22,24,25)/t14?,15-/m0/s1.

What are the key properties of 2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid?

2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid has a molecular weight of 383.46 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-(2H-tetrazol-5-yl)-2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethyl]pentanoic acid is sourced from PubChem (CID 129240176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).