2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide

C22H15N5O2 — CID 127051474

IUPAC2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2ccc3c(c2)C(=O)c2c-3[nH]c3cc(C#N)ccc23)cn1
InChIInChI=1S/C22H15N5O2/c1-24-19(28)11-27-10-14(9-25-27)13-3-5-15-17(7-13)22(29)20-16-4-2-12(8-23)6-18(16)26-21(15)20/h2-7,9-10,26H,11H2,1H3,(H,24,28)
InChIKeyWPKUAANCDKXWFX-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.86
Rot. Bonds3

About 2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide

2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide (PubChem CID 127051474) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide
PubChem CID127051474
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2ccc3c(c2)C(=O)c2c-3[nH]c3cc(C#N)ccc23)cn1
InChIInChI=1S/C22H15N5O2/c1-24-19(28)11-27-10-14(9-25-27)13-3-5-15-17(7-13)22(29)20-16-4-2-12(8-23)6-18(16)26-21(15)20/h2-7,9-10,26H,11H2,1H3,(H,24,28)
InChIKeyWPKUAANCDKXWFX-UHFFFAOYSA-N
XLogP2.86
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide with MolForge

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Related Compounds

3-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-10-oxo-5H-indeno[1,2-b]indole-7-carbonitrile
CID 127052428
2-[4-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]-N,N-dimethylacetamide
CID 127037084
3-(1-methylpyrazol-4-yl)-7-(1H-pyrazol-4-yl)-5H-indeno[1,2-b]indol-10-one
CID 127049934
N-methyl-2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]acetamide
CID 121497314
2-[4-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)pyrazol-1-yl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide
CID 146476720
6-cyano-2-[2-[3-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-4-ethylphenyl]propan-2-yl]-1H-indole-3-carboxylic acid
CID 127037291
N-methyl-2-[4-(1-methyl-6-oxo-4-phenyl-3-pyridinyl)pyrazol-1-yl]acetamide
CID 135355345
N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide
CID 119067213
benzene;2-[4-[3-[[2-(4-cyanophenyl)ethylamino]methyl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]pyrazol-1-yl]-N-methylacetamide
CID 177174729
N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
CID 66834421
N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethyl]acetamide
CID 54586751
3-cyano-N-(1,3-dihydroxypropan-2-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
CID 66834824

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide (CID 127051474) is 2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(-c2ccc3c(c2)C(=O)c2c-3[nH]c3cc(C#N)ccc23)cn1.
What is the InChIKey of 2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide?
The InChIKey is WPKUAANCDKXWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c1-24-19(28)11-27-10-14(9-25-27)13-3-5-15-17(7-13)22(29)20-16-4-2-12(8-23)6-18(16)26-21(15)20/h2-7,9-10,26H,11H2,1H3,(H,24,28).
What are the key properties of 2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide?
2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide has a molecular weight of 381.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-cyano-10-oxo-5H-indeno[1,2-b]indol-2-yl)pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 127051474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).