[4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone

C23H18N6O — CID 5324326

IUPAC[4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone
SMILESCN(C)c1nc2c([nH]1)c(C(=O)c1c[nH]c3ccccc13)nc1[nH]c3ccccc3c12
InChIInChI=1S/C23H18N6O/c1-29(2)23-27-18-17-13-8-4-6-10-16(13)25-22(17)26-20(19(18)28-23)21(30)14-11-24-15-9-5-3-7-12(14)15/h3-11,24H,1-2H3,(H,25,26)(H,27,28)
InChIKeyHFDRCDQEZCGEDH-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.37
Rot. Bonds3

About [4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone

[4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone (PubChem CID 5324326) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is [4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone
PubChem CID5324326
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name[4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone
SMILESCN(C)c1nc2c([nH]1)c(C(=O)c1c[nH]c3ccccc13)nc1[nH]c3ccccc3c12
InChIInChI=1S/C23H18N6O/c1-29(2)23-27-18-17-13-8-4-6-10-16(13)25-22(17)26-20(19(18)28-23)21(30)14-11-24-15-9-5-3-7-12(14)15/h3-11,24H,1-2H3,(H,25,26)(H,27,28)
InChIKeyHFDRCDQEZCGEDH-UHFFFAOYSA-N
XLogP4.37
TPSA93.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone (CID 5324326) is [4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone is CN(C)c1nc2c([nH]1)c(C(=O)c1c[nH]c3ccccc13)nc1[nH]c3ccccc3c12.
What is the InChIKey of [4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone?
The InChIKey is HFDRCDQEZCGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-29(2)23-27-18-17-13-8-4-6-10-16(13)25-22(17)26-20(19(18)28-23)21(30)14-11-24-15-9-5-3-7-12(14)15/h3-11,24H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of [4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone?
[4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone has a molecular weight of 394.44 g/mol, XLogP of 4.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 5324326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).