5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide

C₂₄H₂₄N₈O₃ — CID 163256850

About 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide

5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide (PubChem CID 163256850) has the molecular formula C₂₄H₂₄N₈O₃ and a molecular weight of 472.51 g/mol. Its IUPAC name is 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide
• PubChem CID: 163256850
• Molecular Formula: C₂₄H₂₄N₈O₃
• Molecular Weight: 472.51 g/mol
• Exact Mass: 472.20
• IUPAC Name: 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide
• SMILES: Cn1ccc(-c2cn(C3CCC(C(=O)Nc4ccc5c(c4)NC(=O)CC5)O3)c3ncnc(N)c23)n1
• InChI: InChI=1S/C24H24N8O3/c1-31-9-8-16(30-31)15-11-32(23-21(15)22(25)26-12-27-23)20-7-5-18(35-20)24(34)28-14-4-2-13-3-6-19(33)29-17(13)10-14/h2,4,8-12,18,20H,3,5-7H2,1H3,(H,28,34)(H,29,33)(H2,25,26,27)
• InChIKey: DUFNVCUUZFLBHG-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 141.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.51
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide?

The IUPAC name of 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide (CID 163256850) is 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide.

What is the SMILES notation for 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide?

The canonical SMILES for 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide is Cn1ccc(-c2cn(C3CCC(C(=O)Nc4ccc5c(c4)NC(=O)CC5)O3)c3ncnc(N)c23)n1.

What is the InChIKey of 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide?

The InChIKey is DUFNVCUUZFLBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-31-9-8-16(30-31)15-11-32(23-21(15)22(25)26-12-27-23)20-7-5-18(35-20)24(34)28-14-4-2-13-3-6-19(33)29-17(13)10-14/h2,4,8-12,18,20H,3,5-7H2,1H3,(H,28,34)(H,29,33)(H2,25,26,27).

What are the key properties of 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide?

5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxolane-2-carboxamide is sourced from PubChem (CID 163256850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163256850 — identifiers, structure, computed properties (public domain)

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