[4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol

C18H20N8O2 — CID 170252108

IUPAC[4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol
SMILESCc1nc(CNc2nc(N)nc3cnn(Cc4ccc(CO)cc4C)c23)no1
InChIInChI=1S/C18H20N8O2/c1-10-5-12(9-27)3-4-13(10)8-26-16-14(6-21-26)23-18(19)24-17(16)20-7-15-22-11(2)28-25-15/h3-6,27H,7-9H2,1-2H3,(H3,19,20,23,24)
InChIKeyXSUUECMBDFQCRA-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.56
Rot. Bonds6

About [4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol

[4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol (PubChem CID 170252108) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is [4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol
PubChem CID170252108
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name[4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol
SMILESCc1nc(CNc2nc(N)nc3cnn(Cc4ccc(CO)cc4C)c23)no1
InChIInChI=1S/C18H20N8O2/c1-10-5-12(9-27)3-4-13(10)8-26-16-14(6-21-26)23-18(19)24-17(16)20-7-15-22-11(2)28-25-15/h3-6,27H,7-9H2,1-2H3,(H3,19,20,23,24)
InChIKeyXSUUECMBDFQCRA-UHFFFAOYSA-N
XLogP1.56
TPSA140.80 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol?
The IUPAC name of [4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol (CID 170252108) is [4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol.
What is the SMILES notation for [4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol?
The canonical SMILES for [4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol is Cc1nc(CNc2nc(N)nc3cnn(Cc4ccc(CO)cc4C)c23)no1.
What is the InChIKey of [4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol?
The InChIKey is XSUUECMBDFQCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-10-5-12(9-27)3-4-13(10)8-26-16-14(6-21-26)23-18(19)24-17(16)20-7-15-22-11(2)28-25-15/h3-6,27H,7-9H2,1-2H3,(H3,19,20,23,24).
What are the key properties of [4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol?
[4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol has a molecular weight of 380.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-amino-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methylphenyl]methanol is sourced from PubChem (CID 170252108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).