6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole

C23H19N3O2 — CID 45269536

IUPAC6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(-c3cccc(-c4cccnc4)c3)c1C2
InChIInChI=1S/C23H19N3O2/c1-27-20-11-17-10-19-22(25-26-23(19)18(17)12-21(20)28-2)15-6-3-5-14(9-15)16-7-4-8-24-13-16/h3-9,11-13H,10H2,1-2H3,(H,25,26)
InChIKeyQCRWSRHBUBCGNF-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.73
Rot. Bonds4

About 6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole

6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole (PubChem CID 45269536) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole.

Molecular Properties

Compound Name6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole
PubChem CID45269536
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(-c3cccc(-c4cccnc4)c3)c1C2
InChIInChI=1S/C23H19N3O2/c1-27-20-11-17-10-19-22(25-26-23(19)18(17)12-21(20)28-2)15-6-3-5-14(9-15)16-7-4-8-24-13-16/h3-9,11-13H,10H2,1-2H3,(H,25,26)
InChIKeyQCRWSRHBUBCGNF-UHFFFAOYSA-N
XLogP4.73
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole?
The IUPAC name of 6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole (CID 45269536) is 6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole.
What is the SMILES notation for 6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole?
The canonical SMILES for 6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole is COc1cc2c(cc1OC)-c1[nH]nc(-c3cccc(-c4cccnc4)c3)c1C2.
What is the InChIKey of 6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole?
The InChIKey is QCRWSRHBUBCGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-27-20-11-17-10-19-22(25-26-23(19)18(17)12-21(20)28-2)15-6-3-5-14(9-15)16-7-4-8-24-13-16/h3-9,11-13H,10H2,1-2H3,(H,25,26).
What are the key properties of 6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole?
6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole has a molecular weight of 369.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(3-pyridin-3-ylphenyl)-1,4-dihydroindeno[2,1-d]pyrazole is sourced from PubChem (CID 45269536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).