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

C84H112FN15O10 — CID 137153490

About 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-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-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-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137153490) has the molecular formula C84H112FN15O10 and a molecular weight of 1510.91 g/mol. Its IUPAC name is 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-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 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-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 137153490
• Molecular Formula: C84H112FN15O10
• Molecular Weight: 1510.91 g/mol
• Exact Mass: 1509.87
• IUPAC Name: 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-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: CC(C)Cc1nc2c(cnn2C2CCOCC2C)c(=O)[nH]1.CCC(C)CC1=Nc2c(cnn2C2CCOCC2)C(=O)C1.CCC(CC)Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1.O=C1CC(CC2CCCC2)=Nc2c1ccn2C1CCOCC1.O=C1CC(Cc2ccc(F)cc2)=Nc2c1ccn2C1CCOCC1
• InChI: InChI=1S/C19H19FN2O2.C18H24N2O2.C16H24N4O2.C16H23N3O2.C15H22N4O2/c20-14-3-1-13(2-4-14)11-15-12-18(23)17-5-8-22(19(17)21-15)16-6-9-24-10-7-16;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;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;1-9(2)6-13-17-14-11(15(20)18-13)7-16-19(14)12-4-5-21-8-10(12)3/h1-5,8,16H,6-7,9-12H2;5,8,13,15H,1-4,6-7,9-12H2;10-12H,3-9H2,1-2H3,(H,18,19,21);10-11,13H,3-9H2,1-2H3;7,9-10,12H,4-6,8H2,1-3H3,(H,17,18,20)
• InChIKey: OTTALWZLKBOELH-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 289.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1510.91
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 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-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137153490) is 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-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

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

The canonical SMILES for 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-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)Cc1nc2c(cnn2C2CCOCC2C)c(=O)[nH]1.CCC(C)CC1=Nc2c(cnn2C2CCOCC2)C(=O)C1.CCC(CC)Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1.O=C1CC(CC2CCCC2)=Nc2c1ccn2C1CCOCC1.O=C1CC(Cc2ccc(F)cc2)=Nc2c1ccn2C1CCOCC1.

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

The InChIKey is OTTALWZLKBOELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2.C18H24N2O2.C16H24N4O2.C16H23N3O2.C15H22N4O2/c20-14-3-1-13(2-4-14)11-15-12-18(23)17-5-8-22(19(17)21-15)16-6-9-24-10-7-16;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;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;1-9(2)6-13-17-14-11(15(20)18-13)7-16-19(14)12-4-5-21-8-10(12)3/h1-5,8,16H,6-7,9-12H2;5,8,13,15H,1-4,6-7,9-12H2;10-12H,3-9H2,1-2H3,(H,18,19,21);10-11,13H,3-9H2,1-2H3;7,9-10,12H,4-6,8H2,1-3H3,(H,17,18,20).

What are the key properties of 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-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-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-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1510.91 g/mol, XLogP of 15.65, 18 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[(4-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one;6-(2-methylbutyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;1-(3-methyloxan-4-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137153490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).