1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one

C21H24ClN5O2 — CID 46390904

IUPAC1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCc2c(c(-c3nnc(-c4ccccc4Cl)o3)nn2C)C1
InChIInChI=1S/C21H24ClN5O2/c1-4-13(5-2)21(28)27-11-10-17-15(12-27)18(25-26(17)3)20-24-23-19(29-20)14-8-6-7-9-16(14)22/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyQEBHSISDAGWPIL-UHFFFAOYSA-N
MW413.91 g/mol
LogP4.11
Rot. Bonds5

About 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one

1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one (PubChem CID 46390904) has the molecular formula C21H24ClN5O2 and a molecular weight of 413.91 g/mol. Its IUPAC name is 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one
PubChem CID46390904
Molecular FormulaC21H24ClN5O2
Molecular Weight413.91 g/mol
Exact Mass413.16
IUPAC Name1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCc2c(c(-c3nnc(-c4ccccc4Cl)o3)nn2C)C1
InChIInChI=1S/C21H24ClN5O2/c1-4-13(5-2)21(28)27-11-10-17-15(12-27)18(25-26(17)3)20-24-23-19(29-20)14-8-6-7-9-16(14)22/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyQEBHSISDAGWPIL-UHFFFAOYSA-N
XLogP4.11
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one?
The IUPAC name of 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one (CID 46390904) is 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one is CCC(CC)C(=O)N1CCc2c(c(-c3nnc(-c4ccccc4Cl)o3)nn2C)C1.
What is the InChIKey of 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one?
The InChIKey is QEBHSISDAGWPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O2/c1-4-13(5-2)21(28)27-11-10-17-15(12-27)18(25-26(17)3)20-24-23-19(29-20)14-8-6-7-9-16(14)22/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one?
1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one has a molecular weight of 413.91 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 46390904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).