N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine

C17H17N7O — CID 75523198

IUPACN-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)n1ncc2cc(CNc3nnc(-c4ccncc4)o3)cnc21
InChIInChI=1S/C17H17N7O/c1-11(2)24-15-14(10-21-24)7-12(8-19-15)9-20-17-23-22-16(25-17)13-3-5-18-6-4-13/h3-8,10-11H,9H2,1-2H3,(H,20,23)
InChIKeyOWNYKWSOAXGLEC-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.07
Rot. Bonds5

About N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine

N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (PubChem CID 75523198) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
PubChem CID75523198
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)n1ncc2cc(CNc3nnc(-c4ccncc4)o3)cnc21
InChIInChI=1S/C17H17N7O/c1-11(2)24-15-14(10-21-24)7-12(8-19-15)9-20-17-23-22-16(25-17)13-3-5-18-6-4-13/h3-8,10-11H,9H2,1-2H3,(H,20,23)
InChIKeyOWNYKWSOAXGLEC-UHFFFAOYSA-N
XLogP3.07
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (CID 75523198) is N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is CC(C)n1ncc2cc(CNc3nnc(-c4ccncc4)o3)cnc21.
What is the InChIKey of N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is OWNYKWSOAXGLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-11(2)24-15-14(10-21-24)7-12(8-19-15)9-20-17-23-22-16(25-17)13-3-5-18-6-4-13/h3-8,10-11H,9H2,1-2H3,(H,20,23).
What are the key properties of N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 335.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75523198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).