6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C108H143F4N31O7 — CID 160858729

About 6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 160858729) has the molecular formula C108H143F4N31O7 and a molecular weight of 2063.53 g/mol. Its IUPAC name is 6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 160858729
• Molecular Formula: C108H143F4N31O7
• Molecular Weight: 2063.53 g/mol
• Exact Mass: 2062.17
• IUPAC Name: 6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: C=C(C)N1CCCC(n2ncc3c(=O)[nH]c(CC(C)C)nc32)C1.C=C(C)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.C=C(N(C)C)N1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.CC(F)CN1CCCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)C1.O=c1[nH]c(CC2CCCC2)nc2c1cnn2C1CCNC1.O=c1[nH]c(CC2CCCC2)nc2c1cnn2C1CCNCC1
• InChI: InChI=1S/C21H22F3N5O2.C20H24N6O.C19H28FN5O.C17H25N5O.C16H23N5O.C15H21N5O/c1-13(2)28-9-5-7-15(12-28)29-19-16(11-25-29)20(30)27-18(26-19)10-14-6-3-4-8-17(14)31-21(22,23)24;1-14(24(2)3)25-10-9-16(13-25)26-19-17(12-21-26)20(27)23-18(22-19)11-15-7-5-4-6-8-15;1-13(20)11-24-8-4-7-15(12-24)25-18-16(10-21-25)19(26)23-17(22-18)9-14-5-2-3-6-14;1-11(2)8-15-19-16-14(17(23)20-15)9-18-22(16)13-6-5-7-21(10-13)12(3)4;22-16-13-10-18-21(12-5-7-17-8-6-12)15(13)19-14(20-16)9-11-3-1-2-4-11;21-15-12-9-17-20(11-5-6-16-8-11)14(12)18-13(19-15)7-10-3-1-2-4-10/h3-4,6,8,11,15H,1,5,7,9-10,12H2,2H3,(H,26,27,30);4-8,12,16H,1,9-11,13H2,2-3H3,(H,22,23,27);10,13-15H,2-9,11-12H2,1H3,(H,22,23,26);9,11,13H,3,5-8,10H2,1-2,4H3,(H,19,20,23);10-12,17H,1-9H2,(H,19,20,22);9-11,16H,1-8H2,(H,18,19,21)
• InChIKey: SKEYMWRVONKKJQ-UHFFFAOYSA-N
• XLogP: 14.27
• TPSA: 430.91 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2063.53
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 160858729) is 6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C=C(C)N1CCCC(n2ncc3c(=O)[nH]c(CC(C)C)nc32)C1.C=C(C)N1CCCC(n2ncc3c(=O)[nH]c(Cc4ccccc4OC(F)(F)F)nc32)C1.C=C(N(C)C)N1CCC(n2ncc3c(=O)[nH]c(Cc4ccccc4)nc32)C1.CC(F)CN1CCCC(n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)C1.O=c1[nH]c(CC2CCCC2)nc2c1cnn2C1CCNC1.O=c1[nH]c(CC2CCCC2)nc2c1cnn2C1CCNCC1.

What is the InChIKey of 6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is SKEYMWRVONKKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2.C20H24N6O.C19H28FN5O.C17H25N5O.C16H23N5O.C15H21N5O/c1-13(2)28-9-5-7-15(12-28)29-19-16(11-25-29)20(30)27-18(26-19)10-14-6-3-4-8-17(14)31-21(22,23)24;1-14(24(2)3)25-10-9-16(13-25)26-19-17(12-21-26)20(27)23-18(22-19)11-15-7-5-4-6-8-15;1-13(20)11-24-8-4-7-15(12-24)25-18-16(10-21-25)19(26)23-17(22-18)9-14-5-2-3-6-14;1-11(2)8-15-19-16-14(17(23)20-15)9-18-22(16)13-6-5-7-21(10-13)12(3)4;22-16-13-10-18-21(12-5-7-17-8-6-12)15(13)19-14(20-16)9-11-3-1-2-4-11;21-15-12-9-17-20(11-5-6-16-8-11)14(12)18-13(19-15)7-10-3-1-2-4-10/h3-4,6,8,11,15H,1,5,7,9-10,12H2,2H3,(H,26,27,30);4-8,12,16H,1,9-11,13H2,2-3H3,(H,22,23,27);10,13-15H,2-9,11-12H2,1H3,(H,22,23,26);9,11,13H,3,5-8,10H2,1-2,4H3,(H,19,20,23);10-12,17H,1-9H2,(H,19,20,22);9-11,16H,1-8H2,(H,18,19,21).

What are the key properties of 6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 2063.53 g/mol, XLogP of 14.27, 25 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-1-[1-[1-(dimethylamino)ethenyl]pyrrolidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-[1-(2-fluoropropyl)piperidin-3-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-piperidin-4-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(cyclopentylmethyl)-1-pyrrolidin-3-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-(2-methylpropyl)-1-(1-prop-1-en-2-ylpiperidin-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 160858729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).