1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C18H20N8O — CID 95718925

IUPAC1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N[C@@H](C)c2nc(-c3cccnc3)no2)c2cnn(C)c2n1
InChIInChI=1S/C18H20N8O/c1-10(2)14-22-16(13-9-20-26(4)17(13)23-14)21-11(3)18-24-15(25-27-18)12-6-5-7-19-8-12/h5-11H,1-4H3,(H,21,22,23)/t11-/m0/s1
InChIKeyTVAWWTPHGRBZEW-NSHDSACASA-N
MW364.41 g/mol
LogP3.10
Rot. Bonds5

About 1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95718925) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95718925
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)c1nc(N[C@@H](C)c2nc(-c3cccnc3)no2)c2cnn(C)c2n1
InChIInChI=1S/C18H20N8O/c1-10(2)14-22-16(13-9-20-26(4)17(13)23-14)21-11(3)18-24-15(25-27-18)12-6-5-7-19-8-12/h5-11H,1-4H3,(H,21,22,23)/t11-/m0/s1
InChIKeyTVAWWTPHGRBZEW-NSHDSACASA-N
XLogP3.10
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 95718925) is 1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)c1nc(N[C@@H](C)c2nc(-c3cccnc3)no2)c2cnn(C)c2n1.
What is the InChIKey of 1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is TVAWWTPHGRBZEW-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N8O/c1-10(2)14-22-16(13-9-20-26(4)17(13)23-14)21-11(3)18-24-15(25-27-18)12-6-5-7-19-8-12/h5-11H,1-4H3,(H,21,22,23)/t11-/m0/s1.
What are the key properties of 1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 364.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-yl-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95718925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).