N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide

C21H21ClN6O2 — CID 78839965

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C21H21ClN6O2/c1-4-9-28(12-18-24-25-20(30-18)15-7-5-6-8-17(15)22)21(29)14-10-16-13(2)26-27(3)19(16)23-11-14/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyJCRDVCJBQCYDAE-UHFFFAOYSA-N
MW424.89 g/mol
LogP4.03
Rot. Bonds6

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 78839965) has the molecular formula C21H21ClN6O2 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID78839965
Molecular FormulaC21H21ClN6O2
Molecular Weight424.89 g/mol
Exact Mass424.14
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C21H21ClN6O2/c1-4-9-28(12-18-24-25-20(30-18)15-7-5-6-8-17(15)22)21(29)14-10-16-13(2)26-27(3)19(16)23-11-14/h5-8,10-11H,4,9,12H2,1-3H3
InChIKeyJCRDVCJBQCYDAE-UHFFFAOYSA-N
XLogP4.03
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 78839965) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cnc2c(c1)c(C)nn2C.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is JCRDVCJBQCYDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2/c1-4-9-28(12-18-24-25-20(30-18)15-7-5-6-8-17(15)22)21(29)14-10-16-13(2)26-27(3)19(16)23-11-14/h5-8,10-11H,4,9,12H2,1-3H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 424.89 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-N-propylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78839965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).