2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone

C20H17N3O2 — CID 5307830

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)N1CCc2ccccc21
InChIInChI=1S/C20H17N3O2/c24-19(22-10-9-14-5-1-3-7-17(14)22)12-23-20-15(11-21-23)13-25-18-8-4-2-6-16(18)20/h1-8,11H,9-10,12-13H2
InChIKeyQAWAOTHEWUVSPU-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.03
Rot. Bonds2

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 5307830) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID5307830
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)N1CCc2ccccc21
InChIInChI=1S/C20H17N3O2/c24-19(22-10-9-14-5-1-3-7-17(14)22)12-23-20-15(11-21-23)13-25-18-8-4-2-6-16(18)20/h1-8,11H,9-10,12-13H2
InChIKeyQAWAOTHEWUVSPU-UHFFFAOYSA-N
XLogP3.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone (CID 5307830) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone is O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCc2ccccc21.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is QAWAOTHEWUVSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-19(22-10-9-14-5-1-3-7-17(14)22)12-23-20-15(11-21-23)13-25-18-8-4-2-6-16(18)20/h1-8,11H,9-10,12-13H2.
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 331.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 5307830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).