6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one

C65H77F6N13O8 — CID 137154995

About 6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one

6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one (PubChem CID 137154995) has the molecular formula C65H77F6N13O8 and a molecular weight of 1282.40 g/mol. Its IUPAC name is 6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one.

Molecular Properties

• Compound Name: 6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one
• PubChem CID: 137154995
• Molecular Formula: C65H77F6N13O8
• Molecular Weight: 1282.40 g/mol
• Exact Mass: 1281.59
• IUPAC Name: 6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one
• SMILES: CCC(Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)C(F)(F)F.O=C1CC(CC2CCC2)=Nc2c1cnn2C1CCOCC1.O=C1CC(Cc2cccc(C(F)(F)F)c2)=Nc2c1ccn2C1CCOCC1.O=c1[nH]c(CC2CC2)nc2c1cnn2C1CCOCC1
• InChI: InChI=1S/C20H19F3N2O2.C16H21N3O2.C15H19F3N4O2.C14H18N4O2/c21-20(22,23)14-3-1-2-13(10-14)11-15-12-18(26)17-4-7-25(19(17)24-15)16-5-8-27-9-6-16;20-15-9-12(8-11-2-1-3-11)18-16-14(15)10-17-19(16)13-4-6-21-7-5-13;1-2-9(15(16,17)18)7-12-20-13-11(14(23)21-12)8-19-22(13)10-3-5-24-6-4-10;19-14-11-8-15-18(10-3-5-20-6-4-10)13(11)16-12(17-14)7-9-1-2-9/h1-4,7,10,16H,5-6,8-9,11-12H2;10-11,13H,1-9H2;8-10H,2-7H2,1H3,(H,20,21,23);8-10H,1-7H2,(H,16,17,19)
• InChIKey: UEIQWDPADAJUEP-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 245.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1282.40
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one?

The IUPAC name of 6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one (CID 137154995) is 6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one.

What is the SMILES notation for 6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one?

The canonical SMILES for 6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one is CCC(Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)C(F)(F)F.O=C1CC(CC2CCC2)=Nc2c1cnn2C1CCOCC1.O=C1CC(Cc2cccc(C(F)(F)F)c2)=Nc2c1ccn2C1CCOCC1.O=c1[nH]c(CC2CC2)nc2c1cnn2C1CCOCC1.

What is the InChIKey of 6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one?

The InChIKey is UEIQWDPADAJUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2.C16H21N3O2.C15H19F3N4O2.C14H18N4O2/c21-20(22,23)14-3-1-2-13(10-14)11-15-12-18(26)17-4-7-25(19(17)24-15)16-5-8-27-9-6-16;20-15-9-12(8-11-2-1-3-11)18-16-14(15)10-17-19(16)13-4-6-21-7-5-13;1-2-9(15(16,17)18)7-12-20-13-11(14(23)21-12)8-19-22(13)10-3-5-24-6-4-10;19-14-11-8-15-18(10-3-5-20-6-4-10)13(11)16-12(17-14)7-9-1-2-9/h1-4,7,10,16H,5-6,8-9,11-12H2;10-11,13H,1-9H2;8-10H,2-7H2,1H3,(H,20,21,23);8-10H,1-7H2,(H,16,17,19).

What are the key properties of 6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one?

6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one has a molecular weight of 1282.40 g/mol, XLogP of 11.87, 13 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclobutylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-b]pyridin-4-one;6-(cyclopropylmethyl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[[3-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-b]pyridin-4-one is sourced from PubChem (CID 137154995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).