6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one

C85H104BrClF2N16O10 — CID 159030914

About 6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one

6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 159030914) has the molecular formula C85H104BrClF2N16O10 and a molecular weight of 1663.22 g/mol. Its IUPAC name is 6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

• Compound Name: 6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one
• PubChem CID: 159030914
• Molecular Formula: C85H104BrClF2N16O10
• Molecular Weight: 1663.22 g/mol
• Exact Mass: 1660.70
• IUPAC Name: 6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one
• SMILES: CCC(C)CC1=Nc2c(cnn2C2CCOCC2)C(=O)C1.CCC(CC)Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1.O=C1CC(CC2CCCC2)=Nc2c1ccn2C1CCOCC1.O=C1CC(Cc2ccc(F)c(Br)c2)=Nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2ccc(F)c(Cl)c2)nc2c1cnn2C1CCOCC1
• InChI: InChI=1S/C18H17BrFN3O2.C18H24N2O2.C17H16ClFN4O2.C16H24N4O2.C16H23N3O2/c19-15-8-11(1-2-16(15)20)7-12-9-17(24)14-10-21-23(18(14)22-12)13-3-5-25-6-4-13;21-17-12-14(11-13-3-1-2-4-13)19-18-16(17)5-8-20(18)15-6-9-22-10-7-15;18-13-7-10(1-2-14(13)19)8-15-21-16-12(17(24)22-15)9-20-23(16)11-3-5-25-6-4-11;1-3-11(4-2)9-14-18-15-13(16(21)19-14)10-17-20(15)12-5-7-22-8-6-12;1-3-11(2)8-12-9-15(20)14-10-17-19(16(14)18-12)13-4-6-21-7-5-13/h1-2,8,10,13H,3-7,9H2;5,8,13,15H,1-4,6-7,9-12H2;1-2,7,9,11H,3-6,8H2,(H,21,22,24);10-12H,3-9H2,1-2H3,(H,18,19,21);10-11,13H,3-9H2,1-2H3
• InChIKey: JUWIGLRMZDCIAZ-UHFFFAOYSA-N
• XLogP: 16.75
• TPSA: 302.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1663.22
LogP ≤ 5	16.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one?

The IUPAC name of 6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one (CID 159030914) is 6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one.

What is the SMILES notation for 6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one?

The canonical SMILES for 6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one is CCC(C)CC1=Nc2c(cnn2C2CCOCC2)C(=O)C1.CCC(CC)Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1.O=C1CC(CC2CCCC2)=Nc2c1ccn2C1CCOCC1.O=C1CC(Cc2ccc(F)c(Br)c2)=Nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2ccc(F)c(Cl)c2)nc2c1cnn2C1CCOCC1.

What is the InChIKey of 6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one?

The InChIKey is JUWIGLRMZDCIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3O2.C18H24N2O2.C17H16ClFN4O2.C16H24N4O2.C16H23N3O2/c19-15-8-11(1-2-16(15)20)7-12-9-17(24)14-10-21-23(18(14)22-12)13-3-5-25-6-4-13;21-17-12-14(11-13-3-1-2-4-13)19-18-16(17)5-8-20(18)15-6-9-22-10-7-15;18-13-7-10(1-2-14(13)19)8-15-21-16-12(17(24)22-15)9-20-23(16)11-3-5-25-6-4-11;1-3-11(4-2)9-14-18-15-13(16(21)19-14)10-17-20(15)12-5-7-22-8-6-12;1-3-11(2)8-12-9-15(20)14-10-17-19(16(14)18-12)13-4-6-21-7-5-13/h1-2,8,10,13H,3-7,9H2;5,8,13,15H,1-4,6-7,9-12H2;1-2,7,9,11H,3-6,8H2,(H,21,22,24);10-12H,3-9H2,1-2H3,(H,18,19,21);10-11,13H,3-9H2,1-2H3.

What are the key properties of 6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one?

6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 1663.22 g/mol, XLogP of 16.75, 18 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-bromo-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-ethylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 159030914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).