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

C18H14F3N3O2 — CID 136899610

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

(4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136899610) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is (4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: (4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 136899610
• Molecular Formula: C18H14F3N3O2
• Molecular Weight: 361.32 g/mol
• Exact Mass: 361.10
• IUPAC Name: (4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2cnn(Cc3ccco3)c2N1
• InChI: InChI=1S/C18H14F3N3O2/c19-18(20,21)12-5-3-11(4-6-12)14-8-16(25)23-17-15(14)9-22-24(17)10-13-2-1-7-26-13/h1-7,9,14H,8,10H2,(H,23,25)/t14-/m1/s1
• InChIKey: QEKRISKDBGMGQW-CQSZACIVSA-N
• XLogP: 4.02
• TPSA: 60.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.32
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136899610) is (4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

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

The canonical SMILES for (4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2cnn(Cc3ccco3)c2N1.

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

The InChIKey is QEKRISKDBGMGQW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)12-5-3-11(4-6-12)14-8-16(25)23-17-15(14)9-22-24(17)10-13-2-1-7-26-13/h1-7,9,14H,8,10H2,(H,23,25)/t14-/m1/s1.

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

(4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 361.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-(furan-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136899610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).