N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine

C24H19FN6 — CID 163627658

IUPACN-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine
SMILESFc1ccccc1/N=c1\ncc2cc(-c3cccc4[nH]ccc34)c3n(c-2n1)CCCN3
InChIInChI=1S/C24H19FN6/c25-19-6-1-2-7-21(19)29-24-28-14-15-13-18(16-5-3-8-20-17(16)9-11-26-20)23-27-10-4-12-31(23)22(15)30-24/h1-3,5-9,11,13-14,26-27H,4,10,12H2/b29-24+
InChIKeyBVTIIEIMKPZXJJ-RMLRFSFXSA-N
MW410.46 g/mol
LogP4.72
Rot. Bonds2

About N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine

N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine (PubChem CID 163627658) has the molecular formula C24H19FN6 and a molecular weight of 410.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine
PubChem CID163627658
Molecular FormulaC24H19FN6
Molecular Weight410.46 g/mol
Exact Mass410.17
IUPAC NameN-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine
SMILESFc1ccccc1/N=c1\ncc2cc(-c3cccc4[nH]ccc34)c3n(c-2n1)CCCN3
InChIInChI=1S/C24H19FN6/c25-19-6-1-2-7-21(19)29-24-28-14-15-13-18(16-5-3-8-20-17(16)9-11-26-20)23-27-10-4-12-31(23)22(15)30-24/h1-3,5-9,11,13-14,26-27H,4,10,12H2/b29-24+
InChIKeyBVTIIEIMKPZXJJ-RMLRFSFXSA-N
XLogP4.72
TPSA70.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine with MolForge

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Related Compounds

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CID 169075199
9-bromo-N-ethyl-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine
CID 169074657
N-[4-methyl-3-[(12Z)-12-(2H-tetrazol-5-ylimino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 169075002
2-fluoro-5-[12-(oxetan-3-ylimino)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]aniline
CID 169075167
1-N'-[2-fluoro-4-methyl-5-(12-methylimino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 169075157
4-(2,4-difluorophenyl)-1H-indole
CID 22561815
7-(2-methylcyclohexa-1,5-dien-1-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-12-imine
CID 170150036
tert-butyl N-[2-fluoro-4-methyl-3-(12-methylimino-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl)phenyl]carbamate
CID 169075262
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CID 66936733
N-[3-[12-[(2-methoxy-3-pyridinyl)imino]-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]-4-methylphenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
CID 169220859
3-[4-methyl-3-[12-[(1-methyl-1,2,4-triazol-3-yl)imino]-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),6,8,10-tetraen-7-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 175718212
3-fluoro-2-(1H-indol-4-yl)benzonitrile
CID 150927923

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine?
The IUPAC name of N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine (CID 163627658) is N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine.
What is the SMILES notation for N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine?
The canonical SMILES for N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine is Fc1ccccc1/N=c1\ncc2cc(-c3cccc4[nH]ccc34)c3n(c-2n1)CCCN3.
What is the InChIKey of N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine?
The InChIKey is BVTIIEIMKPZXJJ-RMLRFSFXSA-N. The full InChI is InChI=1S/C24H19FN6/c25-19-6-1-2-7-21(19)29-24-28-14-15-13-18(16-5-3-8-20-17(16)9-11-26-20)23-27-10-4-12-31(23)22(15)30-24/h1-3,5-9,11,13-14,26-27H,4,10,12H2/b29-24+.
What are the key properties of N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine?
N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine has a molecular weight of 410.46 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-9-(1H-indol-4-yl)-1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,5,7,9-tetraen-4-imine is sourced from PubChem (CID 163627658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).