N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine

C17H17N7O — CID 72546233

IUPACN'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESCc1nnc(-c2cccc(-c3cnn4ccc(NCCN)nc34)c2)o1
InChIInChI=1S/C17H17N7O/c1-11-22-23-17(25-11)13-4-2-3-12(9-13)14-10-20-24-8-5-15(19-7-6-18)21-16(14)24/h2-5,8-10H,6-7,18H2,1H3,(H,19,21)
InChIKeyXYDAVXLWFUQNSH-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.13
Rot. Bonds5

About N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine

N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 72546233) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID72546233
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
SMILESCc1nnc(-c2cccc(-c3cnn4ccc(NCCN)nc34)c2)o1
InChIInChI=1S/C17H17N7O/c1-11-22-23-17(25-11)13-4-2-3-12(9-13)14-10-20-24-8-5-15(19-7-6-18)21-16(14)24/h2-5,8-10H,6-7,18H2,1H3,(H,19,21)
InChIKeyXYDAVXLWFUQNSH-UHFFFAOYSA-N
XLogP2.13
TPSA107.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-((2-Ethyl-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)methyl)phenyl)-5-(piperidin-4-yl)-1,3,4-oxadiazole
CID 68379135
5-[4-(1,5-dimethylpyrazol-4-yl)-2-methylphenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 156596357
4-[4-[5-[Imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methylphenyl]-1,3-dimethylpyrazole-5-carbonitrile
CID 156596358
3-[6-methoxy-7-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-N-methylbenzamide
CID 161061205
7-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2492511
N'-[3-[3-(furan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546232
N-[(1R)-2-methyl-1-phenylpropyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
CID 136240263
N-(2-phenylpropan-2-yl)-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
CID 136245066
N-[(1R)-1-phenylpropyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
CID 136245067
2-[4-[(2-Ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 145977076
4-[5-[2-(Dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 155526266
N-[[3-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-methyl-5-[2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1,3,4-oxadiazol-2-amine
CID 164608966

Frequently Asked Questions

What is the IUPAC name of N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine (CID 72546233) is N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is Cc1nnc(-c2cccc(-c3cnn4ccc(NCCN)nc34)c2)o1.
What is the InChIKey of N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is XYDAVXLWFUQNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-11-22-23-17(25-11)13-4-2-3-12(9-13)14-10-20-24-8-5-15(19-7-6-18)21-16(14)24/h2-5,8-10H,6-7,18H2,1H3,(H,19,21).
What are the key properties of N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine?
N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 335.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 72546233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).