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

C16H21N5O3 — CID 53018743

IUPAC1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCc2c(c(-c3nc(C4CC4)no3)nn2C)C1
InChIInChI=1S/C16H21N5O3/c1-20-12-5-7-21(13(22)6-8-23-2)9-11(12)14(18-20)16-17-15(19-24-16)10-3-4-10/h10H,3-9H2,1-2H3
InChIKeyWISVUWADQJDTRT-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.27
Rot. Bonds5

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

1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one (PubChem CID 53018743) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one
PubChem CID53018743
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCc2c(c(-c3nc(C4CC4)no3)nn2C)C1
InChIInChI=1S/C16H21N5O3/c1-20-12-5-7-21(13(22)6-8-23-2)9-11(12)14(18-20)16-17-15(19-24-16)10-3-4-10/h10H,3-9H2,1-2H3
InChIKeyWISVUWADQJDTRT-UHFFFAOYSA-N
XLogP1.27
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one (CID 53018743) is 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCc2c(c(-c3nc(C4CC4)no3)nn2C)C1.
What is the InChIKey of 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one?
The InChIKey is WISVUWADQJDTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-20-12-5-7-21(13(22)6-8-23-2)9-11(12)14(18-20)16-17-15(19-24-16)10-3-4-10/h10H,3-9H2,1-2H3.
What are the key properties of 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one?
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one has a molecular weight of 331.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 53018743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).