7-N-(cyclopropylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C20H18N6O4 — CID 59462591

About 7-N-(cyclopropylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-(cyclopropylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59462591) has the molecular formula C20H18N6O4 and a molecular weight of 406.40 g/mol. Its IUPAC name is 7-N-(cyclopropylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 7-N-(cyclopropylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 59462591
• Molecular Formula: C20H18N6O4
• Molecular Weight: 406.40 g/mol
• Exact Mass: 406.14
• IUPAC Name: 7-N-(cyclopropylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCC2CC2)n2nccc2n1
• InChI: InChI=1S/C20H18N6O4/c27-18(21-10-12-3-4-16-13(7-12)25-20(29)30-16)14-8-15(19(28)22-9-11-1-2-11)26-17(24-14)5-6-23-26/h3-8,11H,1-2,9-10H2,(H,21,27)(H,22,28)(H,25,29)
• InChIKey: CILAVCDRHGPDFG-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 134.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.40
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 7-N-(cyclopropylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59462591) is 7-N-(cyclopropylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

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

The canonical SMILES for 7-N-(cyclopropylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCC2CC2)n2nccc2n1.

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

The InChIKey is CILAVCDRHGPDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O4/c27-18(21-10-12-3-4-16-13(7-12)25-20(29)30-16)14-8-15(19(28)22-9-11-1-2-11)26-17(24-14)5-6-23-26/h3-8,11H,1-2,9-10H2,(H,21,27)(H,22,28)(H,25,29).

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

7-N-(cyclopropylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 406.40 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-(cyclopropylmethyl)-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59462591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).