6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C142H135N31O15 — CID 161104899

About 6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 161104899) has the molecular formula C142H135N31O15 and a molecular weight of 2515.84 g/mol. Its IUPAC name is 6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 161104899
• Molecular Formula: C142H135N31O15
• Molecular Weight: 2515.84 g/mol
• Exact Mass: 2514.08
• IUPAC Name: 6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: COc1cc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)ccn1.COc1cncc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)c1.N#Cc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)cn1.O=c1[nH]c(Cc2ccccc2-c2ccc(OCc3ccccc3)nc2)nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2ccccc2-c2cccnc2)nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2ccccc2-c2ccncc2)nc2c1cnn2C1CCOCC1
• InChI: InChI=1S/C29H27N5O3.C23H20N6O2.2C23H23N5O3.2C22H21N5O2/c35-29-25-18-31-34(23-12-14-36-15-13-23)28(25)32-26(33-29)16-21-8-4-5-9-24(21)22-10-11-27(30-17-22)37-19-20-6-2-1-3-7-20;24-12-17-6-5-16(13-25-17)19-4-2-1-3-15(19)11-21-27-22-20(23(30)28-21)14-26-29(22)18-7-9-31-10-8-18;1-30-21-13-16(6-9-24-21)18-5-3-2-4-15(18)12-20-26-22-19(23(29)27-20)14-25-28(22)17-7-10-31-11-8-17;1-30-18-10-16(12-24-13-18)19-5-3-2-4-15(19)11-21-26-22-20(23(29)27-21)14-25-28(22)17-6-8-31-9-7-17;28-22-19-14-24-27(17-7-10-29-11-8-17)21(19)25-20(26-22)12-15-4-1-2-6-18(15)16-5-3-9-23-13-16;28-22-19-14-24-27(17-7-11-29-12-8-17)21(19)25-20(26-22)13-16-3-1-2-4-18(16)15-5-9-23-10-6-15/h1-11,17-18,23H,12-16,19H2,(H,32,33,35);1-6,13-14,18H,7-11H2,(H,27,28,30);2-6,9,13-14,17H,7-8,10-12H2,1H3,(H,26,27,29);2-5,10,12-14,17H,6-9,11H2,1H3,(H,26,27,29);1-6,9,13-14,17H,7-8,10-12H2,(H,25,26,28);1-6,9-10,14,17H,7-8,11-13H2,(H,25,26,28)
• InChIKey: UIXOGZKKDIHZPL-UHFFFAOYSA-N
• XLogP: 20.21
• TPSA: 565.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 29
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2515.84
LogP ≤ 5	20.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 161104899) is 6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1cc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)ccn1.COc1cncc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)c1.N#Cc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)cn1.O=c1[nH]c(Cc2ccccc2-c2ccc(OCc3ccccc3)nc2)nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2ccccc2-c2cccnc2)nc2c1cnn2C1CCOCC1.O=c1[nH]c(Cc2ccccc2-c2ccncc2)nc2c1cnn2C1CCOCC1.

What is the InChIKey of 6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is UIXOGZKKDIHZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3.C23H20N6O2.2C23H23N5O3.2C22H21N5O2/c35-29-25-18-31-34(23-12-14-36-15-13-23)28(25)32-26(33-29)16-21-8-4-5-9-24(21)22-10-11-27(30-17-22)37-19-20-6-2-1-3-7-20;24-12-17-6-5-16(13-25-17)19-4-2-1-3-15(19)11-21-27-22-20(23(30)28-21)14-26-29(22)18-7-9-31-10-8-18;1-30-21-13-16(6-9-24-21)18-5-3-2-4-15(18)12-20-26-22-19(23(29)27-20)14-25-28(22)17-7-10-31-11-8-17;1-30-18-10-16(12-24-13-18)19-5-3-2-4-15(19)11-21-26-22-20(23(29)27-21)14-25-28(22)17-6-8-31-9-7-17;28-22-19-14-24-27(17-7-10-29-11-8-17)21(19)25-20(26-22)12-15-4-1-2-6-18(15)16-5-3-9-23-13-16;28-22-19-14-24-27(17-7-11-29-12-8-17)21(19)25-20(26-22)13-16-3-1-2-4-18(16)15-5-9-23-10-6-15/h1-11,17-18,23H,12-16,19H2,(H,32,33,35);1-6,13-14,18H,7-11H2,(H,27,28,30);2-6,9,13-14,17H,7-8,10-12H2,1H3,(H,26,27,29);2-5,10,12-14,17H,6-9,11H2,1H3,(H,26,27,29);1-6,9,13-14,17H,7-8,10-12H2,(H,25,26,28);1-6,9-10,14,17H,7-8,11-13H2,(H,25,26,28).

What are the key properties of 6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?

6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 2515.84 g/mol, XLogP of 20.21, 29 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(2-methoxy-4-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;6-[[2-(5-methoxy-3-pyridinyl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-[2-[[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]phenyl]pyridine-2-carbonitrile;1-(oxan-4-yl)-6-[[2-(6-phenylmethoxy-3-pyridinyl)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-3-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(oxan-4-yl)-6-[(2-pyridin-4-ylphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 161104899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).