2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide

C22H14F2N4O — CID 44540134

IUPAC2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1c(F)cccc1F
InChIInChI=1S/C22H14F2N4O/c23-16-4-2-5-17(24)21(16)22(29)27-19-9-12(10-20-15(19)11-26-28-20)13-3-1-6-18-14(13)7-8-25-18/h1-11,25H,(H,26,28)(H,27,29)
InChIKeyKKBVLYSXNNWUOA-UHFFFAOYSA-N
MW388.38 g/mol
LogP5.24
Rot. Bonds3

About 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide

2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide (PubChem CID 44540134) has the molecular formula C22H14F2N4O and a molecular weight of 388.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
PubChem CID44540134
Molecular FormulaC22H14F2N4O
Molecular Weight388.38 g/mol
Exact Mass388.11
IUPAC Name2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
SMILESO=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1c(F)cccc1F
InChIInChI=1S/C22H14F2N4O/c23-16-4-2-5-17(24)21(16)22(29)27-19-9-12(10-20-15(19)11-26-28-20)13-3-1-6-18-14(13)7-8-25-18/h1-11,25H,(H,26,28)(H,27,29)
InChIKeyKKBVLYSXNNWUOA-UHFFFAOYSA-N
XLogP5.24
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.38
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

PF-477736
CID 135565545
N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
(2R)-2-amino-2-cyclohexyl-N-[2-(1-methylpyrazol-4-yl)-9-oxo-3,10,11-triazatricyclo[6.4.1.0^{4,13]trideca-1(12),2,4,6,8(13)-pentaen-6-yl]acetamide
CID 135984730
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one
CID 44593854
2-(2-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-indol-6-yl)-1-phenylethanone
CID 136188827
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71259641
Maleimide derivative, 4
CID 22592015
7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4,6,8,11(15),17,20-octaen-14-one
CID 44447876
7-[(E)-N-hydroxy-C-methylcarbonimidoyl]-19-methyl-3,13,19,20-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,21]tricosa-1(16),2(10),4(9),5,7,11(15),17,20-octaen-14-one
CID 44447880
N'-[(E)-1H-indol-3-ylmethylidene]-1H-pyrazole-3-carbohydrazide
CID 135510250

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide (CID 44540134) is 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide is O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide?
The InChIKey is KKBVLYSXNNWUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4O/c23-16-4-2-5-17(24)21(16)22(29)27-19-9-12(10-20-15(19)11-26-28-20)13-3-1-6-18-14(13)7-8-25-18/h1-11,25H,(H,26,28)(H,27,29).
What are the key properties of 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide?
2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide has a molecular weight of 388.38 g/mol, XLogP of 5.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide is sourced from PubChem (CID 44540134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).