1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C20H22N6O — CID 120869162

IUPAC1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2cc(-c3ccccc3)nc3c2c(C)nn3C)n1
InChIInChI=1S/C20H22N6O/c1-12(21-3)10-17-23-20(27-25-17)15-11-16(14-8-6-5-7-9-14)22-19-18(15)13(2)24-26(19)4/h5-9,11-12,21H,10H2,1-4H3
InChIKeyMIZGNFVZVJOPQS-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.14
Rot. Bonds5

About 1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120869162) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120869162
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(-c2cc(-c3ccccc3)nc3c2c(C)nn3C)n1
InChIInChI=1S/C20H22N6O/c1-12(21-3)10-17-23-20(27-25-17)15-11-16(14-8-6-5-7-9-14)22-19-18(15)13(2)24-26(19)4/h5-9,11-12,21H,10H2,1-4H3
InChIKeyMIZGNFVZVJOPQS-UHFFFAOYSA-N
XLogP3.14
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120869162) is 1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(-c2cc(-c3ccccc3)nc3c2c(C)nn3C)n1.
What is the InChIKey of 1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is MIZGNFVZVJOPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-12(21-3)10-17-23-20(27-25-17)15-11-16(14-8-6-5-7-9-14)22-19-18(15)13(2)24-26(19)4/h5-9,11-12,21H,10H2,1-4H3.
What are the key properties of 1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 362.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120869162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).