4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one

C15H19N5O — CID 172728015

IUPAC4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one
SMILESO=C1Nc2cnc3c(c2N2CC4CCC(N4)C12)CCNC3
InChIInChI=1S/C15H19N5O/c21-15-14-10-2-1-8(18-10)7-20(14)13-9-3-4-16-5-11(9)17-6-12(13)19-15/h6,8,10,14,16,18H,1-5,7H2,(H,19,21)
InChIKeyHKGIKKACIPTJQE-UHFFFAOYSA-N
MW285.35 g/mol
LogP-0.01
Rot. Bonds

About 4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one

4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one (PubChem CID 172728015) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one.

Molecular Properties

Compound Name4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one
PubChem CID172728015
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one
SMILESO=C1Nc2cnc3c(c2N2CC4CCC(N4)C12)CCNC3
InChIInChI=1S/C15H19N5O/c21-15-14-10-2-1-8(18-10)7-20(14)13-9-3-4-16-5-11(9)17-6-12(13)19-15/h6,8,10,14,16,18H,1-5,7H2,(H,19,21)
InChIKeyHKGIKKACIPTJQE-UHFFFAOYSA-N
XLogP-0.01
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one?
The IUPAC name of 4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one (CID 172728015) is 4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one.
What is the SMILES notation for 4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one?
The canonical SMILES for 4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one is O=C1Nc2cnc3c(c2N2CC4CCC(N4)C12)CCNC3.
What is the InChIKey of 4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one?
The InChIKey is HKGIKKACIPTJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15-14-10-2-1-8(18-10)7-20(14)13-9-3-4-16-5-11(9)17-6-12(13)19-15/h6,8,10,14,16,18H,1-5,7H2,(H,19,21).
What are the key properties of 4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one?
4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one has a molecular weight of 285.35 g/mol, XLogP of -0.01, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,10,15,20-pentazapentacyclo[15.2.1.02,15.05,14.08,13]icosa-5,7,13-trien-3-one is sourced from PubChem (CID 172728015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).