[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine

C20H17N7O — CID 44574971

IUPAC[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(Cc3ccc(-c4cn[nH]c4)cc3)c3ccccc23)n1
InChIInChI=1S/C20H17N7O/c21-9-18-24-20(28-26-18)19-16-3-1-2-4-17(16)27(25-19)12-13-5-7-14(8-6-13)15-10-22-23-11-15/h1-8,10-11H,9,12,21H2,(H,22,23)
InChIKeyFIUIUNBIQZRXLC-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.98
Rot. Bonds5

About [5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine

[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 44574971) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is [5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID44574971
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2nn(Cc3ccc(-c4cn[nH]c4)cc3)c3ccccc23)n1
InChIInChI=1S/C20H17N7O/c21-9-18-24-20(28-26-18)19-16-3-1-2-4-17(16)27(25-19)12-13-5-7-14(8-6-13)15-10-22-23-11-15/h1-8,10-11H,9,12,21H2,(H,22,23)
InChIKeyFIUIUNBIQZRXLC-UHFFFAOYSA-N
XLogP2.98
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 44574971) is [5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2nn(Cc3ccc(-c4cn[nH]c4)cc3)c3ccccc23)n1.
What is the InChIKey of [5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is FIUIUNBIQZRXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c21-9-18-24-20(28-26-18)19-16-3-1-2-4-17(16)27(25-19)12-13-5-7-14(8-6-13)15-10-22-23-11-15/h1-8,10-11H,9,12,21H2,(H,22,23).
What are the key properties of [5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 371.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 44574971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).