2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide

C24H26N8O2 — CID 153293866

About 2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide

2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 153293866) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: 2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide
• PubChem CID: 153293866
• Molecular Formula: C24H26N8O2
• Molecular Weight: 458.53 g/mol
• Exact Mass: 458.22
• IUPAC Name: 2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide
• SMILES: Cc1cc(N)c(C(=O)Nc2cccc(-c3nncn3C(C)CO)n2)cc1-n1cnc(C2CC2)c1
• InChI: InChI=1S/C24H26N8O2/c1-14-8-18(25)17(9-21(14)31-10-20(26-12-31)16-6-7-16)24(34)29-22-5-3-4-19(28-22)23-30-27-13-32(23)15(2)11-33/h3-5,8-10,12-13,15-16,33H,6-7,11,25H2,1-2H3,(H,28,29,34)
• InChIKey: BTNGOEYWXWMAJM-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 136.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.53
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide?

The IUPAC name of 2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide (CID 153293866) is 2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide.

What is the SMILES notation for 2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide?

The canonical SMILES for 2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide is Cc1cc(N)c(C(=O)Nc2cccc(-c3nncn3C(C)CO)n2)cc1-n1cnc(C2CC2)c1.

What is the InChIKey of 2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide?

The InChIKey is BTNGOEYWXWMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-14-8-18(25)17(9-21(14)31-10-20(26-12-31)16-6-7-16)24(34)29-22-5-3-4-19(28-22)23-30-27-13-32(23)15(2)11-33/h3-5,8-10,12-13,15-16,33H,6-7,11,25H2,1-2H3,(H,28,29,34).

What are the key properties of 2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide?

2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 458.53 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(4-cyclopropylimidazol-1-yl)-N-[6-[4-(1-hydroxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 153293866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).