2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide

C23H23ClFN7O3 — CID 167058900

About 2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide

2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide (PubChem CID 167058900) has the molecular formula C23H23ClFN7O3 and a molecular weight of 499.93 g/mol. Its IUPAC name is 2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide
• PubChem CID: 167058900
• Molecular Formula: C23H23ClFN7O3
• Molecular Weight: 499.93 g/mol
• Exact Mass: 499.15
• IUPAC Name: 2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccc(F)cc4Cl)no3)cn2)c(C(N)O)c1N
• InChI: InChI=1S/C23H23ClFN7O3/c1-11(2)32-22(26)20(23(27)34)21(30-32)16-6-3-12(10-28-16)7-18(33)29-19-9-17(31-35-19)14-5-4-13(25)8-15(14)24/h3-6,8-11,23,34H,7,26-27H2,1-2H3,(H,29,33)
• InChIKey: LGHXBSBDPJZTJD-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 158.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.93
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide?

The IUPAC name of 2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide (CID 167058900) is 2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide.

What is the SMILES notation for 2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide?

The canonical SMILES for 2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccc(F)cc4Cl)no3)cn2)c(C(N)O)c1N.

What is the InChIKey of 2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide?

The InChIKey is LGHXBSBDPJZTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN7O3/c1-11(2)32-22(26)20(23(27)34)21(30-32)16-6-3-12(10-28-16)7-18(33)29-19-9-17(31-35-19)14-5-4-13(25)8-15(14)24/h3-6,8-11,23,34H,7,26-27H2,1-2H3,(H,29,33).

What are the key properties of 2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide?

2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide has a molecular weight of 499.93 g/mol, XLogP of 3.69, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[5-amino-4-[amino(hydroxy)methyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-N-[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 167058900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).