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

C44H34N14O8 — CID 91321596

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

5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 91321596) has the molecular formula C44H34N14O8 and a molecular weight of 886.85 g/mol. Its IUPAC name is 5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• PubChem CID: 91321596
• Molecular Formula: C44H34N14O8
• Molecular Weight: 886.85 g/mol
• Exact Mass: 886.27
• IUPAC Name: 5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
• SMILES: O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCc2ccccn2)n2nccc2n1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCc2cccnc2)n2nccc2n1
• InChI: InChI=1S/2C22H17N7O4/c30-20(24-11-13-3-4-18-15(8-13)28-22(32)33-18)16-9-17(29-19(27-16)5-7-26-29)21(31)25-12-14-2-1-6-23-10-14;30-20(24-11-13-4-5-18-15(9-13)28-22(32)33-18)16-10-17(29-19(27-16)6-8-26-29)21(31)25-12-14-3-1-2-7-23-14/h2*1-10H,11-12H2,(H,24,30)(H,25,31)(H,28,32)
• InChIKey: KPYLGUXHCVHAKW-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 294.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	886.85
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 91321596) is 5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

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

The canonical SMILES for 5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCc2ccccn2)n2nccc2n1.O=C(NCc1ccc2oc(=O)[nH]c2c1)c1cc(C(=O)NCc2cccnc2)n2nccc2n1.

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

The InChIKey is KPYLGUXHCVHAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17N7O4/c30-20(24-11-13-3-4-18-15(8-13)28-22(32)33-18)16-9-17(29-19(27-16)5-7-26-29)21(31)25-12-14-2-1-6-23-10-14;30-20(24-11-13-4-5-18-15(9-13)28-22(32)33-18)16-10-17(29-19(27-16)6-8-26-29)21(31)25-12-14-3-1-2-7-23-14/h2*1-10H,11-12H2,(H,24,30)(H,25,31)(H,28,32).

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

5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 886.85 g/mol, XLogP of 2.84, 12 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 91321596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).