(4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C18H16FN3O3 — CID 136899877

About (4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136899877) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is (4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: (4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 136899877
• Molecular Formula: C18H16FN3O3
• Molecular Weight: 341.34 g/mol
• Exact Mass: 341.12
• IUPAC Name: (4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: COc1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccco2)c(F)c1
• InChI: InChI=1S/C18H16FN3O3/c1-24-11-4-5-13(16(19)7-11)14-8-17(23)21-18-15(14)9-20-22(18)10-12-3-2-6-25-12/h2-7,9,14H,8,10H2,1H3,(H,21,23)/t14-/m0/s1
• InChIKey: OAAHWQNQUJMMIB-AWEZNQCLSA-N
• XLogP: 3.15
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.34
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of (4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136899877) is (4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for (4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for (4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc([C@@H]2CC(=O)Nc3c2cnn3Cc2ccco2)c(F)c1.

What is the InChIKey of (4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is OAAHWQNQUJMMIB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-24-11-4-5-13(16(19)7-11)14-8-17(23)21-18-15(14)9-20-22(18)10-12-3-2-6-25-12/h2-7,9,14H,8,10H2,1H3,(H,21,23)/t14-/m0/s1.

What are the key properties of (4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

(4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 341.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136899877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).