(2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide

C15H16N6O3 — CID 136783558

About (2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide

(2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide (PubChem CID 136783558) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide
• PubChem CID: 136783558
• Molecular Formula: C15H16N6O3
• Molecular Weight: 328.33 g/mol
• Exact Mass: 328.13
• IUPAC Name: (2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide
• SMILES: O=C(NCc1ccco1)[C@H]1CCCN1c1nc2[nH]ncc2c(=O)[nH]1
• InChI: InChI=1S/C15H16N6O3/c22-13-10-8-17-20-12(10)18-15(19-13)21-5-1-4-11(21)14(23)16-7-9-3-2-6-24-9/h2-3,6,8,11H,1,4-5,7H2,(H,16,23)(H2,17,18,19,20,22)/t11-/m1/s1
• InChIKey: NSMLZKPITGIQAQ-LLVKDONJSA-N
• XLogP: 0.52
• TPSA: 119.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.33
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide (CID 136783558) is (2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide is O=C(NCc1ccco1)[C@H]1CCCN1c1nc2[nH]ncc2c(=O)[nH]1.

What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide?

The InChIKey is NSMLZKPITGIQAQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N6O3/c22-13-10-8-17-20-12(10)18-15(19-13)21-5-1-4-11(21)14(23)16-7-9-3-2-6-24-9/h2-3,6,8,11H,1,4-5,7H2,(H,16,23)(H2,17,18,19,20,22)/t11-/m1/s1.

What are the key properties of (2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide?

(2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(furan-2-ylmethyl)-1-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 136783558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).