14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one

C24H24N6O — CID 71569047

IUPAC14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
SMILESCN(C)CCn1nc2c3c(c(NCCc4ccccn4)ccc31)C(=O)c1ccncc1-2
InChIInChI=1S/C24H24N6O/c1-29(2)13-14-30-20-7-6-19(27-12-8-16-5-3-4-10-26-16)21-22(20)23(28-30)18-15-25-11-9-17(18)24(21)31/h3-7,9-11,15,27H,8,12-14H2,1-2H3
InChIKeyPZFWIJVCBABNAF-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.25
Rot. Bonds7

About 14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one

14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one (PubChem CID 71569047) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one.

Molecular Properties

Compound Name14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
PubChem CID71569047
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one
SMILESCN(C)CCn1nc2c3c(c(NCCc4ccccn4)ccc31)C(=O)c1ccncc1-2
InChIInChI=1S/C24H24N6O/c1-29(2)13-14-30-20-7-6-19(27-12-8-16-5-3-4-10-26-16)21-22(20)23(28-30)18-15-25-11-9-17(18)24(21)31/h3-7,9-11,15,27H,8,12-14H2,1-2H3
InChIKeyPZFWIJVCBABNAF-UHFFFAOYSA-N
XLogP3.25
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze 14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
The IUPAC name of 14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one (CID 71569047) is 14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one.
What is the SMILES notation for 14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
The canonical SMILES for 14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one is CN(C)CCn1nc2c3c(c(NCCc4ccccn4)ccc31)C(=O)c1ccncc1-2.
What is the InChIKey of 14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
The InChIKey is PZFWIJVCBABNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-29(2)13-14-30-20-7-6-19(27-12-8-16-5-3-4-10-26-16)21-22(20)23(28-30)18-15-25-11-9-17(18)24(21)31/h3-7,9-11,15,27H,8,12-14H2,1-2H3.
What are the key properties of 14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one?
14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one has a molecular weight of 412.50 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2-(dimethylamino)ethyl]-10-(2-pyridin-2-ylethylamino)-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one is sourced from PubChem (CID 71569047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).