(4-amino-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

C21H14N6O — CID 5324328

IUPAC(4-amino-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
SMILESNc1nc2c([nH]1)c(C(=O)c1c[nH]c3ccccc13)nc1[nH]c3ccccc3c12
InChIInChI=1S/C21H14N6O/c22-21-26-16-15-11-6-2-4-8-14(11)24-20(15)25-18(17(16)27-21)19(28)12-9-23-13-7-3-1-5-10(12)13/h1-9,23H,(H,24,25)(H3,22,26,27)
InChIKeyWNDIVVRKTNRQAS-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.89
Rot. Bonds2

About (4-amino-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-amino-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 5324328) has the molecular formula C21H14N6O and a molecular weight of 366.38 g/mol. Its IUPAC name is (4-amino-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-amino-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 CID5324328
Molecular FormulaC21H14N6O
Molecular Weight366.38 g/mol
Exact Mass366.12
IUPAC Name(4-amino-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
SMILESNc1nc2c([nH]1)c(C(=O)c1c[nH]c3ccccc13)nc1[nH]c3ccccc3c12
InChIInChI=1S/C21H14N6O/c22-21-26-16-15-11-6-2-4-8-14(11)24-20(15)25-18(17(16)27-21)19(28)12-9-23-13-7-3-1-5-10(12)13/h1-9,23H,(H,24,25)(H3,22,26,27)
InChIKeyWNDIVVRKTNRQAS-UHFFFAOYSA-N
XLogP3.89
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (4-amino-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-amino-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-amino-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 5324328) is (4-amino-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-amino-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-amino-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 Nc1nc2c([nH]1)c(C(=O)c1c[nH]c3ccccc13)nc1[nH]c3ccccc3c12.
What is the InChIKey of (4-amino-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 WNDIVVRKTNRQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6O/c22-21-26-16-15-11-6-2-4-8-14(11)24-20(15)25-18(17(16)27-21)19(28)12-9-23-13-7-3-1-5-10(12)13/h1-9,23H,(H,24,25)(H3,22,26,27).
What are the key properties of (4-amino-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-amino-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 366.38 g/mol, XLogP of 3.89, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-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 5324328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).