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-methoxyethanone

C18H18ClN5O3 — CID 53018974

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-methoxyethanone
SMILESCOCC(=O)N1CCc2c(c(-c3nnc(-c4ccccc4Cl)o3)nn2C)C1
InChIInChI=1S/C18H18ClN5O3/c1-23-14-7-8-24(15(25)10-26-2)9-12(14)16(22-23)18-21-20-17(27-18)11-5-3-4-6-13(11)19/h3-6H,7-10H2,1-2H3
InChIKeyMKOJRPPHKRMOEF-UHFFFAOYSA-N
MW387.83 g/mol
LogP2.32
Rot. Bonds4

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-methoxyethanone

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-methoxyethanone (PubChem CID 53018974) has the molecular formula C18H18ClN5O3 and a molecular weight of 387.83 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-methoxyethanone.

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-methoxyethanone
PubChem CID53018974
Molecular FormulaC18H18ClN5O3
Molecular Weight387.83 g/mol
Exact Mass387.11
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-methoxyethanone
SMILESCOCC(=O)N1CCc2c(c(-c3nnc(-c4ccccc4Cl)o3)nn2C)C1
InChIInChI=1S/C18H18ClN5O3/c1-23-14-7-8-24(15(25)10-26-2)9-12(14)16(22-23)18-21-20-17(27-18)11-5-3-4-6-13(11)19/h3-6H,7-10H2,1-2H3
InChIKeyMKOJRPPHKRMOEF-UHFFFAOYSA-N
XLogP2.32
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-methoxyethanone 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-methoxyethanone?
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-methoxyethanone (CID 53018974) 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-methoxyethanone.
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-methoxyethanone?
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-methoxyethanone is COCC(=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-methoxyethanone?
The InChIKey is MKOJRPPHKRMOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3/c1-23-14-7-8-24(15(25)10-26-2)9-12(14)16(22-23)18-21-20-17(27-18)11-5-3-4-6-13(11)19/h3-6H,7-10H2,1-2H3.
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-methoxyethanone?
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-methoxyethanone has a molecular weight of 387.83 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 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-methoxyethanone is sourced from PubChem (CID 53018974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).