1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane

C27H37N7O2 — CID 145091927

IUPAC1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane
SMILESCC(=O)N1CCc2[nH]nc(N3CCNc4cc(-c5cnn(C)c5)ccc43)c2C1.CC(C)C1CCOC1
InChIInChI=1S/C20H23N7O.C7H14O/c1-13(28)26-7-5-17-16(12-26)20(24-23-17)27-8-6-21-18-9-14(3-4-19(18)27)15-10-22-25(2)11-15;1-6(2)7-3-4-8-5-7/h3-4,9-11,21H,5-8,12H2,1-2H3,(H,23,24);6-7H,3-5H2,1-2H3
InChIKeyKGVRWTXYSXESAR-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.96
Rot. Bonds3

About 1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane

1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane (PubChem CID 145091927) has the molecular formula C27H37N7O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane.

Molecular Properties

Compound Name1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane
PubChem CID145091927
Molecular FormulaC27H37N7O2
Molecular Weight491.64 g/mol
Exact Mass491.30
IUPAC Name1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane
SMILESCC(=O)N1CCc2[nH]nc(N3CCNc4cc(-c5cnn(C)c5)ccc43)c2C1.CC(C)C1CCOC1
InChIInChI=1S/C20H23N7O.C7H14O/c1-13(28)26-7-5-17-16(12-26)20(24-23-17)27-8-6-21-18-9-14(3-4-19(18)27)15-10-22-25(2)11-15;1-6(2)7-3-4-8-5-7/h3-4,9-11,21H,5-8,12H2,1-2H3,(H,23,24);6-7H,3-5H2,1-2H3
InChIKeyKGVRWTXYSXESAR-UHFFFAOYSA-N
XLogP3.96
TPSA91.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane with MolForge

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Related Compounds

1-[3-[N-ethyl-4-(1-methylpyrazol-4-yl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane
CID 145092323
1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 145092196
1-[3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 164754011
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
1-[3-[4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376879
1-[3-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372764
1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176983169
1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372946
1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373054
1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane
CID 145090935
1-[1-methyl-3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372664
3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde
CID 139398865

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane?
The IUPAC name of 1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane (CID 145091927) is 1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane.
What is the SMILES notation for 1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane?
The canonical SMILES for 1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane is CC(=O)N1CCc2[nH]nc(N3CCNc4cc(-c5cnn(C)c5)ccc43)c2C1.CC(C)C1CCOC1.
What is the InChIKey of 1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane?
The InChIKey is KGVRWTXYSXESAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O.C7H14O/c1-13(28)26-7-5-17-16(12-26)20(24-23-17)27-8-6-21-18-9-14(3-4-19(18)27)15-10-22-25(2)11-15;1-6(2)7-3-4-8-5-7/h3-4,9-11,21H,5-8,12H2,1-2H3,(H,23,24);6-7H,3-5H2,1-2H3.
What are the key properties of 1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane?
1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane has a molecular weight of 491.64 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane is sourced from PubChem (CID 145091927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).