5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C24H25N7O6 — CID 70310768

About 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 70310768) has the molecular formula C24H25N7O6 and a molecular weight of 507.51 g/mol. Its IUPAC name is 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 70310768
• Molecular Formula: C24H25N7O6
• Molecular Weight: 507.51 g/mol
• Exact Mass: 507.19
• IUPAC Name: 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12)C(=O)N1CCOCC1
• InChI: InChI=1S/C24H25N7O6/c1-14(23(34)30-7-9-36-10-8-30)27-22(33)18-12-16(28-20-5-6-26-31(18)20)21(32)25-13-15-3-4-19-17(11-15)29(2)24(35)37-19/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,32)(H,27,33)/t14-/m0/s1
• InChIKey: BQKCWMPDFJBIHS-AWEZNQCLSA-N
• XLogP: 0.08
• TPSA: 153.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.51
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The IUPAC name of 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 70310768) is 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

What is the SMILES notation for 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The canonical SMILES for 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is C[C@H](NC(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)nc2ccnn12)C(=O)N1CCOCC1.

What is the InChIKey of 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

The InChIKey is BQKCWMPDFJBIHS-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H25N7O6/c1-14(23(34)30-7-9-36-10-8-30)27-22(33)18-12-16(28-20-5-6-26-31(18)20)21(32)25-13-15-3-4-19-17(11-15)29(2)24(35)37-19/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,25,32)(H,27,33)/t14-/m0/s1.

What are the key properties of 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?

5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 507.51 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 70310768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).