3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole

C21H16N4O — CID 135873637

IUPAC3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole
SMILESCOc1ccc(-n2nc(-c3ccccn3)c3c4ccccc4[nH]c32)cc1
InChIInChI=1S/C21H16N4O/c1-26-15-11-9-14(10-12-15)25-21-19(16-6-2-3-7-17(16)23-21)20(24-25)18-8-4-5-13-22-18/h2-13,23H,1H3
InChIKeyQTEGGHAVSPFNLC-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.58
Rot. Bonds3

About 3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole

3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole (PubChem CID 135873637) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole
PubChem CID135873637
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole
SMILESCOc1ccc(-n2nc(-c3ccccn3)c3c4ccccc4[nH]c32)cc1
InChIInChI=1S/C21H16N4O/c1-26-15-11-9-14(10-12-15)25-21-19(16-6-2-3-7-17(16)23-21)20(24-25)18-8-4-5-13-22-18/h2-13,23H,1H3
InChIKeyQTEGGHAVSPFNLC-UHFFFAOYSA-N
XLogP4.58
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-5-pyridin-2-yl-4H-1,2,4-triazol-3-one
CID 136863153
N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine
CID 135060180
5,10-bis[bis(4-methoxyphenyl)methylidene]-2,3-dipyridin-2-ylbenzo[g]quinoxaline
CID 122209982
8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
CID 19700943
4-(4-methoxyphenyl)-1-methyl-3-pyridin-2-ylpyrazol-5-amine
CID 62824966
2-[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine;dihydrate
CID 139068037
2-methoxy-6-phenyl-11H-indolo[3,2-c]quinoline
CID 122216052
2-(4-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135405767
2-methoxy-3-pyridin-2-yl-9H-carbazole
CID 91573621
5-methoxy-2-pyridin-2-ylpyridine
CID 604153
1-[3,4-dihydroxy-1-(4-methoxyphenyl)-5-pyridin-2-ylpyrrol-2-yl]ethanone
CID 136954770
3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79290028

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole?
The IUPAC name of 3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole (CID 135873637) is 3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole?
The canonical SMILES for 3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole is COc1ccc(-n2nc(-c3ccccn3)c3c4ccccc4[nH]c32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole?
The InChIKey is QTEGGHAVSPFNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-26-15-11-9-14(10-12-15)25-21-19(16-6-2-3-7-17(16)23-21)20(24-25)18-8-4-5-13-22-18/h2-13,23H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole?
3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole has a molecular weight of 340.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-pyridin-2-yl-4H-pyrazolo[5,4-b]indole is sourced from PubChem (CID 135873637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).