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

C21H21N5O2 — CID 5308613

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H21N5O2/c27-20(25-11-9-24(10-12-25)19-7-3-4-8-22-19)14-26-21-16(13-23-26)15-28-18-6-2-1-5-17(18)21/h1-8,13H,9-12,14-15H2
InChIKeyAAJJHYDKLWTJCD-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.19
Rot. Bonds3

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

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 5308613) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID5308613
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cn1ncc2c1-c1ccccc1OC2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H21N5O2/c27-20(25-11-9-24(10-12-25)19-7-3-4-8-22-19)14-26-21-16(13-23-26)15-28-18-6-2-1-5-17(18)21/h1-8,13H,9-12,14-15H2
InChIKeyAAJJHYDKLWTJCD-UHFFFAOYSA-N
XLogP2.19
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 5308613) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is AAJJHYDKLWTJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20(25-11-9-24(10-12-25)19-7-3-4-8-22-19)14-26-21-16(13-23-26)15-28-18-6-2-1-5-17(18)21/h1-8,13H,9-12,14-15H2.
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 375.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 5308613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).