6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C75H86F6N16O9 — CID 137072526

About 6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137072526) has the molecular formula C75H86F6N16O9 and a molecular weight of 1469.60 g/mol. Its IUPAC name is 6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 137072526
• Molecular Formula: C75H86F6N16O9
• Molecular Weight: 1469.60 g/mol
• Exact Mass: 1468.67
• IUPAC Name: 6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: C=C1CC(Cc2ncccc2C(F)(F)F)=Nc2c1cnn2C1CCOCC1.CC(C)Oc1ccccc1Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1.CCC(Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)C(F)(F)F.O=c1[nH]c(Cc2ccccc2OCC2CC2)nc2c1cnn2C1CCOCC1
• InChI: InChI=1S/C21H24N4O3.C20H24N4O3.C19H19F3N4O.C15H19F3N4O2/c26-21-17-12-22-25(16-7-9-27-10-8-16)20(17)23-19(24-21)11-15-3-1-2-4-18(15)28-13-14-5-6-14;1-13(2)27-17-6-4-3-5-14(17)11-18-22-19-16(20(25)23-18)12-21-24(19)15-7-9-26-10-8-15;1-12-9-13(10-17-16(19(20,21)22)3-2-6-23-17)25-18-15(12)11-24-26(18)14-4-7-27-8-5-14;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/h1-4,12,14,16H,5-11,13H2,(H,23,24,26);3-6,12-13,15H,7-11H2,1-2H3,(H,22,23,25);2-3,6,11,14H,1,4-5,7-10H2;8-10H,2-7H2,1H3,(H,20,21,23)
• InChIKey: UQYRHNHNVFPSHE-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 289.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1469.60
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137072526) is 6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C=C1CC(Cc2ncccc2C(F)(F)F)=Nc2c1cnn2C1CCOCC1.CC(C)Oc1ccccc1Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1.CCC(Cc1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)C(F)(F)F.O=c1[nH]c(Cc2ccccc2OCC2CC2)nc2c1cnn2C1CCOCC1.

What is the InChIKey of 6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is UQYRHNHNVFPSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3.C20H24N4O3.C19H19F3N4O.C15H19F3N4O2/c26-21-17-12-22-25(16-7-9-27-10-8-16)20(17)23-19(24-21)11-15-3-1-2-4-18(15)28-13-14-5-6-14;1-13(2)27-17-6-4-3-5-14(17)11-18-22-19-16(20(25)23-18)12-21-24(19)15-7-9-26-10-8-15;1-12-9-13(10-17-16(19(20,21)22)3-2-6-23-17)25-18-15(12)11-24-26(18)14-4-7-27-8-5-14;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/h1-4,12,14,16H,5-11,13H2,(H,23,24,26);3-6,12-13,15H,7-11H2,1-2H3,(H,22,23,25);2-3,6,11,14H,1,4-5,7-10H2;8-10H,2-7H2,1H3,(H,20,21,23).

What are the key properties of 6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 1469.60 g/mol, XLogP of 12.68, 18 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-5H-pyrazolo[5,4-b]pyridine;1-(oxan-4-yl)-6-[(2-propan-2-yloxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137072526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).