6-benzyl-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one

C101H114F6N24O11 — CID 158541630

About 6-benzyl-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one

6-benzyl-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one (PubChem CID 158541630) has the molecular formula C101H114F6N24O11 and a molecular weight of 1954.17 g/mol. Its IUPAC name is 6-benzyl-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one.

Molecular Properties

• Compound Name: 6-benzyl-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one
• PubChem CID: 158541630
• Molecular Formula: C101H114F6N24O11
• Molecular Weight: 1954.17 g/mol
• Exact Mass: 1952.90
• IUPAC Name: 6-benzyl-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one
• SMILES: CC(C)CC1=Nc2c(ccn2C2CCOCC2)C(=O)C1.CN1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)CC1.CN1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)CC1.O=c1[nH]c(CC2CC2)nc2c1cnn2C1CCCCO1.O=c1[nH]c(Cc2cccc(F)c2F)nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2ccccc2F)nc2c1cnn2C1CCOCC1
• InChI: InChI=1S/C19H20F3N5O2.C18H21N5O.C17H16F2N4O2.C17H17FN4O2.C16H22N2O2.C14H18N4O2/c1-26-8-6-13(7-9-26)27-17-14(11-23-27)18(28)25-16(24-17)10-12-4-2-3-5-15(12)29-19(20,21)22;1-22-9-7-14(8-10-22)23-17-15(12-19-23)18(24)21-16(20-17)11-13-5-3-2-4-6-13;18-13-3-1-2-10(15(13)19)8-14-21-16-12(17(24)22-14)9-20-23(16)11-4-6-25-7-5-11;18-14-4-2-1-3-11(14)9-15-20-16-13(17(23)21-15)10-19-22(16)12-5-7-24-8-6-12;1-11(2)9-12-10-15(19)14-3-6-18(16(14)17-12)13-4-7-20-8-5-13;19-14-10-8-15-18(12-3-1-2-6-20-12)13(10)16-11(17-14)7-9-4-5-9/h2-5,11,13H,6-10H2,1H3,(H,24,25,28);2-6,12,14H,7-11H2,1H3,(H,20,21,24);1-3,9,11H,4-8H2,(H,21,22,24);1-4,10,12H,5-9H2,(H,20,21,23);3,6,11,13H,4-5,7-10H2,1-2H3;8-9,12H,1-7H2,(H,16,17,19)
• InChIKey: HOPBRZHCPWYQBF-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 404.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1954.17
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 6-benzyl-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one (CID 158541630) is 6-benzyl-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one.

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

The canonical SMILES for 6-benzyl-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one is CC(C)CC1=Nc2c(ccn2C2CCOCC2)C(=O)C1.CN1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)CC1.CN1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)CC1.O=c1[nH]c(CC2CC2)nc2c1cnn2C1CCCCO1.O=c1[nH]c(Cc2cccc(F)c2F)nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2ccccc2F)nc2c1cnn2C1CCOCC1.

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

The InChIKey is HOPBRZHCPWYQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2.C18H21N5O.C17H16F2N4O2.C17H17FN4O2.C16H22N2O2.C14H18N4O2/c1-26-8-6-13(7-9-26)27-17-14(11-23-27)18(28)25-16(24-17)10-12-4-2-3-5-15(12)29-19(20,21)22;1-22-9-7-14(8-10-22)23-17-15(12-19-23)18(24)21-16(20-17)11-13-5-3-2-4-6-13;18-13-3-1-2-10(15(13)19)8-14-21-16-12(17(24)22-14)9-20-23(16)11-4-6-25-7-5-11;18-14-4-2-1-3-11(14)9-15-20-16-13(17(23)21-15)10-19-22(16)12-5-7-24-8-6-12;1-11(2)9-12-10-15(19)14-3-6-18(16(14)17-12)13-4-7-20-8-5-13;19-14-10-8-15-18(12-3-1-2-6-20-12)13(10)16-11(17-14)7-9-4-5-9/h2-5,11,13H,6-10H2,1H3,(H,24,25,28);2-6,12,14H,7-11H2,1H3,(H,20,21,24);1-3,9,11H,4-8H2,(H,21,22,24);1-4,10,12H,5-9H2,(H,20,21,23);3,6,11,13H,4-5,7-10H2,1-2H3;8-9,12H,1-7H2,(H,16,17,19).

What are the key properties of 6-benzyl-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one?

6-benzyl-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one has a molecular weight of 1954.17 g/mol, XLogP of 14.71, 19 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-1-(1-methylpiperidin-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopropylmethyl)-1-(oxan-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2,3-difluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[(2-fluorophenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-methylpiperidin-4-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyridin-4-one is sourced from PubChem (CID 158541630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).