5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

C22H29N7O3 — CID 163291868

About 5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163291868) has the molecular formula C22H29N7O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 163291868
• Molecular Formula: C22H29N7O3
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.23
• IUPAC Name: 5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3nn(C(C)C)c(N)c3C(N)=O)nc2)on1
• InChI: InChI=1S/C22H29N7O3/c1-6-22(4,5)15-10-17(32-28-15)26-16(30)9-13-7-8-14(25-11-13)19-18(21(24)31)20(23)29(27-19)12(2)3/h7-8,10-12H,6,9,23H2,1-5H3,(H2,24,31)(H,26,30)
• InChIKey: BJGADRSLKZHBKO-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 154.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163291868) is 5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is CCC(C)(C)c1cc(NC(=O)Cc2ccc(-c3nn(C(C)C)c(N)c3C(N)=O)nc2)on1.

What is the InChIKey of 5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is BJGADRSLKZHBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3/c1-6-22(4,5)15-10-17(32-28-15)26-16(30)9-13-7-8-14(25-11-13)19-18(21(24)31)20(23)29(27-19)12(2)3/h7-8,10-12H,6,9,23H2,1-5H3,(H2,24,31)(H,26,30).

What are the key properties of 5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?

5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[5-[2-[[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163291868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).