3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile

C15H8N4O2 — CID 135867864

IUPAC3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile
SMILESN#Cc1nn(C(=O)c2ccco2)c2[nH]c3ccccc3c12
InChIInChI=1S/C15H8N4O2/c16-8-11-13-9-4-1-2-5-10(9)17-14(13)19(18-11)15(20)12-6-3-7-21-12/h1-7,17H
InChIKeyKIXGNKHGFWKDFS-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.67
Rot. Bonds1

About 3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile

3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile (PubChem CID 135867864) has the molecular formula C15H8N4O2 and a molecular weight of 276.25 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile
PubChem CID135867864
Molecular FormulaC15H8N4O2
Molecular Weight276.25 g/mol
Exact Mass276.06
IUPAC Name3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile
SMILESN#Cc1nn(C(=O)c2ccco2)c2[nH]c3ccccc3c12
InChIInChI=1S/C15H8N4O2/c16-8-11-13-9-4-1-2-5-10(9)17-14(13)19(18-11)15(20)12-6-3-7-21-12/h1-7,17H
InChIKeyKIXGNKHGFWKDFS-UHFFFAOYSA-N
XLogP2.67
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1H-indole-3-carbonitrile
CID 10497907
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
furan-2-carboxamide;9H-pyrido[3,4-b]indole
CID 175128472
(2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile
CID 6928339
1-benzoylindazole-3-carbonitrile
CID 71818548
[4-(3-ethyl-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 50950547
(3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone
CID 121238337
[(1S)-1-(4-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(furan-2-yl)methanone
CID 92730362
furan-2-yl-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 46359951
1-(furan-2-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanone
CID 17308902
2-(4-chlorophenyl)-5-[4-(furan-2-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 6462696
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile?
The IUPAC name of 3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile (CID 135867864) is 3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile.
What is the SMILES notation for 3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile?
The canonical SMILES for 3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile is N#Cc1nn(C(=O)c2ccco2)c2[nH]c3ccccc3c12.
What is the InChIKey of 3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile?
The InChIKey is KIXGNKHGFWKDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N4O2/c16-8-11-13-9-4-1-2-5-10(9)17-14(13)19(18-11)15(20)12-6-3-7-21-12/h1-7,17H.
What are the key properties of 3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile?
3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile has a molecular weight of 276.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4H-pyrazolo[5,4-b]indole-1-carbonitrile is sourced from PubChem (CID 135867864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).