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

C19H21N5O3 — CID 53018767

IUPAC3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCOCCC(=O)N1CCc2c(c(-c3nc(-c4ccccc4)no3)nn2C)C1
InChIInChI=1S/C19H21N5O3/c1-23-15-8-10-24(16(25)9-11-26-2)12-14(15)17(21-23)19-20-18(22-27-19)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyWEAQZAGAIWCSEN-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.06
Rot. Bonds5

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

3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 53018767) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
PubChem CID53018767
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
SMILESCOCCC(=O)N1CCc2c(c(-c3nc(-c4ccccc4)no3)nn2C)C1
InChIInChI=1S/C19H21N5O3/c1-23-15-8-10-24(16(25)9-11-26-2)12-14(15)17(21-23)19-20-18(22-27-19)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyWEAQZAGAIWCSEN-UHFFFAOYSA-N
XLogP2.06
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 53018767) is 3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is COCCC(=O)N1CCc2c(c(-c3nc(-c4ccccc4)no3)nn2C)C1.
What is the InChIKey of 3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
The InChIKey is WEAQZAGAIWCSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-23-15-8-10-24(16(25)9-11-26-2)12-14(15)17(21-23)19-20-18(22-27-19)13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3.
What are the key properties of 3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?
3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 367.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 53018767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).