N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole

C18H19N7O — CID 143181122

IUPACN-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2ncno2)cc1.c1nc(NC2CCCC2)c2cn[nH]c2n1
InChIInChI=1S/C10H13N5.C8H6N2O/c1-2-4-7(3-1)14-9-8-5-13-15-10(8)12-6-11-9;1-2-4-7(5-3-1)8-9-6-10-11-8/h5-7H,1-4H2,(H2,11,12,13,14,15);1-6H
InChIKeyZMZAQGUJRUSFOU-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.44
Rot. Bonds3

About N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole

N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole (PubChem CID 143181122) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound NameN-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole
PubChem CID143181122
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC NameN-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2ncno2)cc1.c1nc(NC2CCCC2)c2cn[nH]c2n1
InChIInChI=1S/C10H13N5.C8H6N2O/c1-2-4-7(3-1)14-9-8-5-13-15-10(8)12-6-11-9;1-2-4-7(5-3-1)8-9-6-10-11-8/h5-7H,1-4H2,(H2,11,12,13,14,15);1-6H
InChIKeyZMZAQGUJRUSFOU-UHFFFAOYSA-N
XLogP3.44
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-3-(1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 59028727
N-[(1S,3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11702984
N-cyclohex-3-en-1-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133322747
N-[cyclobutyl(phenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133286334
N-[(1S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 59834846
N-[4-[[(1R,2R)-2-phenylcyclopropyl]methoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 69276306
N-[4-(2-ethoxy-2-phenylethoxy)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11559983
N-[(1S)-3-[(2S)-2-fluoro-2-phenylethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 59992438
N-[4-[2-(2-methylphenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11638883
4-[(6-phenyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 11722864
N-[4-[2-(3-fluorophenyl)ethoxy]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 11646096
N-naphthalen-1-yl-4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)piperidine-1-carbothioamide
CID 162666844

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole?
The IUPAC name of N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole (CID 143181122) is N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole is c1ccc(-c2ncno2)cc1.c1nc(NC2CCCC2)c2cn[nH]c2n1.
What is the InChIKey of N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole?
The InChIKey is ZMZAQGUJRUSFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5.C8H6N2O/c1-2-4-7(3-1)14-9-8-5-13-15-10(8)12-6-11-9;1-2-4-7(5-3-1)8-9-6-10-11-8/h5-7H,1-4H2,(H2,11,12,13,14,15);1-6H.
What are the key properties of N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole?
N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole has a molecular weight of 349.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine;5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 143181122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).