N,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine

C17H25N7O — CID 56895178

IUPACN,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCc1nc(N(C)CCc2noc(C(C)C)n2)c2cnn(C)c2n1
InChIInChI=1S/C17H25N7O/c1-6-7-13-19-15(12-10-18-24(5)16(12)20-13)23(4)9-8-14-21-17(11(2)3)25-22-14/h10-11H,6-9H2,1-5H3
InChIKeyOBWOCZNLZMEMFX-UHFFFAOYSA-N
MW343.44 g/mol
LogP2.50
Rot. Bonds7

About N,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine

N,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 56895178) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID56895178
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCc1nc(N(C)CCc2noc(C(C)C)n2)c2cnn(C)c2n1
InChIInChI=1S/C17H25N7O/c1-6-7-13-19-15(12-10-18-24(5)16(12)20-13)23(4)9-8-14-21-17(11(2)3)25-22-14/h10-11H,6-9H2,1-5H3
InChIKeyOBWOCZNLZMEMFX-UHFFFAOYSA-N
XLogP2.50
TPSA85.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-one
CID 71225858
N-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropanecarboxamide
CID 71223275
2-[1-(1-Methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 53504403
2-[1-(1,6-Dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 53511840
1-[4-(1,6-Dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 172441400
3-methyl-N-(2-(4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)butanamide
CID 42099663
6-cyclopentyl-N,1-dimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56883060
N-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl}-1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 72923021
(2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 97195566
2-[[1-Methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 134158070
(4R)-4-[[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-methylamino]methyl]-1-cyclopentylpyrrolidin-2-one
CID 171359484
1-(1-{1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidin-4-yl)-4-(fluoromethyl)pyrrolidin-2-one
CID 126899784

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine (CID 56895178) is N,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine is CCCc1nc(N(C)CCc2noc(C(C)C)n2)c2cnn(C)c2n1.
What is the InChIKey of N,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is OBWOCZNLZMEMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-6-7-13-19-15(12-10-18-24(5)16(12)20-13)23(4)9-8-14-21-17(11(2)3)25-22-14/h10-11H,6-9H2,1-5H3.
What are the key properties of N,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine?
N,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 343.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-6-propylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56895178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).