1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C19H25N5O2 — CID 121373763

IUPAC1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(N3CCNC4=C3CCC=C4)nn2C2COC2)C1
InChIInChI=1S/C19H25N5O2/c1-13(25)22-8-6-17-15(10-22)19(21-24(17)14-11-26-12-14)23-9-7-20-16-4-2-3-5-18(16)23/h2,4,14,20H,3,5-12H2,1H3
InChIKeyJDYDLWPOEYADED-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.33
Rot. Bonds2

About 1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373763) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121373763
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(N3CCNC4=C3CCC=C4)nn2C2COC2)C1
InChIInChI=1S/C19H25N5O2/c1-13(25)22-8-6-17-15(10-22)19(21-24(17)14-11-26-12-14)23-9-7-20-16-4-2-3-5-18(16)23/h2,4,14,20H,3,5-12H2,1H3
InChIKeyJDYDLWPOEYADED-UHFFFAOYSA-N
XLogP1.33
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372772
1-[3-ethenyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 139398452
1-[1-(oxetan-3-yl)-3-[6-(1H-pyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372776
1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 145091366
5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylpyridine-2-carboxamide
CID 121372767
1-[3-(3,4-dihydro-2H-quinolin-1-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376993
1-[3-(7-chloro-4-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376978
2-[(3S)-1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-3-yl]acetonitrile
CID 121373574
1-[1-(oxolan-3-yl)-3-[7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376910
1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121365523
3-[1-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-2-amino-4-methyliminobut-2-enenitrile
CID 163678918
1-[3-[3-ethyl-5-methyl-6-[(E)-pent-2-en-3-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 139398777

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373763) is 1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3CCNC4=C3CCC=C4)nn2C2COC2)C1.
What is the InChIKey of 1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is JDYDLWPOEYADED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13(25)22-8-6-17-15(10-22)19(21-24(17)14-11-26-12-14)23-9-7-20-16-4-2-3-5-18(16)23/h2,4,14,20H,3,5-12H2,1H3.
What are the key properties of 1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 355.44 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxetan-3-yl)-3-(3,4,7,8-tetrahydro-2H-quinoxalin-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).