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

C₁₉H₂₁F₂N₇O₃ — CID 163291942

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

5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163291942) has the molecular formula C₁₉H₂₁F₂N₇O₃ and a molecular weight of 433.42 g/mol. Its IUPAC name is 5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 163291942
• Molecular Formula: C₁₉H₂₁F₂N₇O₃
• Molecular Weight: 433.42 g/mol
• Exact Mass: 433.17
• IUPAC Name: 5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(F)F)no3)cn2)c(C(N)=O)c1N
• InChI: InChI=1S/C19H21F2N7O3/c1-9(2)28-17(22)15(18(23)30)16(26-28)11-5-4-10(8-24-11)6-13(29)25-14-7-12(27-31-14)19(3,20)21/h4-5,7-9H,6,22H2,1-3H3,(H2,23,30)(H,25,29)
• InChIKey: VFVILTUMNJPKLW-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 154.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.42
LogP ≤ 5	2.49
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-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163291942) is 5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-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-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(F)F)no3)cn2)c(C(N)=O)c1N.

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

The InChIKey is VFVILTUMNJPKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7O3/c1-9(2)28-17(22)15(18(23)30)16(26-28)11-5-4-10(8-24-11)6-13(29)25-14-7-12(27-31-14)19(3,20)21/h4-5,7-9H,6,22H2,1-3H3,(H2,23,30)(H,25,29).

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

5-amino-3-[5-[2-[[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 2.49, 7 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-(1,1-difluoroethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163291942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163291942 — identifiers, structure, computed properties (public domain)

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