5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione

C22H22N6O2 — CID 165018618

IUPAC5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione
SMILESCN1CCCNC(=O)c2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21
InChIInChI=1S/C22H22N6O2/c1-28-11-5-10-24-21(29)15-7-4-6-14(12-15)17-13-25-20(23)19(26-17)22(30)27-16-8-2-3-9-18(16)28/h2-4,6-9,12-13H,5,10-11H2,1H3,(H2,23,25)(H,24,29)(H,27,30)
InChIKeySCDRKQDCMUNWCS-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.55
Rot. Bonds

About 5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione

5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione (PubChem CID 165018618) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione.

Molecular Properties

Compound Name5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione
PubChem CID165018618
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione
SMILESCN1CCCNC(=O)c2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21
InChIInChI=1S/C22H22N6O2/c1-28-11-5-10-24-21(29)15-7-4-6-14(12-15)17-13-25-20(23)19(26-17)22(30)27-16-8-2-3-9-18(16)28/h2-4,6-9,12-13H,5,10-11H2,1H3,(H2,23,25)(H,24,29)(H,27,30)
InChIKeySCDRKQDCMUNWCS-UHFFFAOYSA-N
XLogP2.55
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione?
The IUPAC name of 5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione (CID 165018618) is 5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione.
What is the SMILES notation for 5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione?
The canonical SMILES for 5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione is CN1CCCNC(=O)c2cccc(c2)-c2cnc(N)c(n2)C(=O)Nc2ccccc21.
What is the InChIKey of 5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione?
The InChIKey is SCDRKQDCMUNWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-28-11-5-10-24-21(29)15-7-4-6-14(12-15)17-13-25-20(23)19(26-17)22(30)27-16-8-2-3-9-18(16)28/h2-4,6-9,12-13H,5,10-11H2,1H3,(H2,23,25)(H,24,29)(H,27,30).
What are the key properties of 5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione?
5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione has a molecular weight of 402.46 g/mol, XLogP of 2.55, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-15-methyl-4,8,15,19,26-pentazatetracyclo[19.3.1.12,6.09,14]hexacosa-1(25),2,4,6(26),9,11,13,21,23-nonaene-7,20-dione is sourced from PubChem (CID 165018618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).