15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene

C18H13N5 — CID 139688243

IUPAC15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene
SMILESc1ccc2c(c1)CCc1cc3nnc(-c4ccncc4)n3nc1-2
InChIInChI=1S/C18H13N5/c1-2-4-15-12(3-1)5-6-14-11-16-20-21-18(23(16)22-17(14)15)13-7-9-19-10-8-13/h1-4,7-11H,5-6H2
InChIKeyIXGCNCKONZNFMR-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.95
Rot. Bonds1

About 15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene

15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene (PubChem CID 139688243) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is 15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene.

Molecular Properties

Compound Name15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene
PubChem CID139688243
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC Name15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene
SMILESc1ccc2c(c1)CCc1cc3nnc(-c4ccncc4)n3nc1-2
InChIInChI=1S/C18H13N5/c1-2-4-15-12(3-1)5-6-14-11-16-20-21-18(23(16)22-17(14)15)13-7-9-19-10-8-13/h1-4,7-11H,5-6H2
InChIKeyIXGCNCKONZNFMR-UHFFFAOYSA-N
XLogP2.95
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene?
The IUPAC name of 15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene (CID 139688243) is 15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene.
What is the SMILES notation for 15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene?
The canonical SMILES for 15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene is c1ccc2c(c1)CCc1cc3nnc(-c4ccncc4)n3nc1-2.
What is the InChIKey of 15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene?
The InChIKey is IXGCNCKONZNFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-2-4-15-12(3-1)5-6-14-11-16-20-21-18(23(16)22-17(14)15)13-7-9-19-10-8-13/h1-4,7-11H,5-6H2.
What are the key properties of 15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene?
15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene has a molecular weight of 299.34 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-pyridin-4-yl-13,14,16,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,14-heptaene is sourced from PubChem (CID 139688243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).