N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C18H17N7O — CID 11702984

IUPACN-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(-c2noc([C@@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1
InChIInChI=1S/C18H17N7O/c1-2-4-11(5-3-1)15-23-18(26-25-15)12-6-7-13(8-12)22-16-14-9-21-24-17(14)20-10-19-16/h1-5,9-10,12-13H,6-8H2,(H2,19,20,21,22,24)/t12-,13+/m1/s1
InChIKeyNYBKIUCCRIBLFT-OLZOCXBDSA-N
MW347.38 g/mol
LogP3.15
Rot. Bonds4

About N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 11702984) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID11702984
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC NameN-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESc1ccc(-c2noc([C@@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1
InChIInChI=1S/C18H17N7O/c1-2-4-11(5-3-1)15-23-18(26-25-15)12-6-7-13(8-12)22-16-14-9-21-24-17(14)20-10-19-16/h1-5,9-10,12-13H,6-8H2,(H2,19,20,21,22,24)/t12-,13+/m1/s1
InChIKeyNYBKIUCCRIBLFT-OLZOCXBDSA-N
XLogP3.15
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 11702984) is N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is c1ccc(-c2noc([C@@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)n2)cc1.
What is the InChIKey of N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is NYBKIUCCRIBLFT-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H17N7O/c1-2-4-11(5-3-1)15-23-18(26-25-15)12-6-7-13(8-12)22-16-14-9-21-24-17(14)20-10-19-16/h1-5,9-10,12-13H,6-8H2,(H2,19,20,21,22,24)/t12-,13+/m1/s1.
What are the key properties of N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 347.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11702984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).