ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile

C21H22N4O — CID 176667298

IUPACethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile
SMILESCC.COc1cc(C)c2[nH]ccc2c1Cn1cc2ccc(C#N)cc2n1
InChIInChI=1S/C19H16N4O.C2H6/c1-12-7-18(24-2)16(15-5-6-21-19(12)15)11-23-10-14-4-3-13(9-20)8-17(14)22-23;1-2/h3-8,10,21H,11H2,1-2H3;1-2H3
InChIKeyISKJXZKMGROEKD-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.78
Rot. Bonds3

About ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile

ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile (PubChem CID 176667298) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile.

Molecular Properties

Compound Nameethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile
PubChem CID176667298
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Nameethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile
SMILESCC.COc1cc(C)c2[nH]ccc2c1Cn1cc2ccc(C#N)cc2n1
InChIInChI=1S/C19H16N4O.C2H6/c1-12-7-18(24-2)16(15-5-6-21-19(12)15)11-23-10-14-4-3-13(9-20)8-17(14)22-23;1-2/h3-8,10,21H,11H2,1-2H3;1-2H3
InChIKeyISKJXZKMGROEKD-UHFFFAOYSA-N
XLogP4.78
TPSA66.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-morpholin-4-ylindazole-6-carbonitrile
CID 176667468
2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-7-(thietan-3-yloxy)indazole-6-carbonitrile
CID 176667459
7-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile
CID 176667258
2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile
CID 141393467
3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile
CID 170975574
ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1,3-dihydroisoindole-5-carbonitrile;2-methylprop-2-enenitrile;methyl thiohypoiodite;sulfanyl trifluoromethanesulfonate
CID 176667470
2-[1-methoxy-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile
CID 71812266
carbonic acid;2-[1-(5-methoxy-7-methyl-1H-indol-4-yl)cyclopropyl]-3H-benzimidazole-5-carbonitrile
CID 126713644
ethane;7-(3-hydroxycyclobutyl)oxy-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile
CID 176667266
4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
CID 166460896
2-[dimethylamino-(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 90057383
2-[1-(2,2-dihydroxyethylamino)-2,2,2-trifluoro-1-(5-methoxy-7-methyl-1H-indol-4-yl)ethyl]-3H-benzimidazole-5-carbonitrile
CID 123549971

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile?
The IUPAC name of ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile (CID 176667298) is ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile.
What is the SMILES notation for ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile?
The canonical SMILES for ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile is CC.COc1cc(C)c2[nH]ccc2c1Cn1cc2ccc(C#N)cc2n1.
What is the InChIKey of ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile?
The InChIKey is ISKJXZKMGROEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O.C2H6/c1-12-7-18(24-2)16(15-5-6-21-19(12)15)11-23-10-14-4-3-13(9-20)8-17(14)22-23;1-2/h3-8,10,21H,11H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile?
ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile has a molecular weight of 346.43 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]indazole-6-carbonitrile is sourced from PubChem (CID 176667298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).