5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one

C23H24N6O2 — CID 155444794

IUPAC5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one
SMILESCc1cc2cc(n1)-c1cnn(C)c1OCCCCCn1c(nc3ccccc31)NC2=O
InChIInChI=1S/C23H24N6O2/c1-15-12-16-13-19(25-15)17-14-24-28(2)22(17)31-11-7-3-6-10-29-20-9-5-4-8-18(20)26-23(29)27-21(16)30/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3,(H,26,27,30)
InChIKeyHSZPBWABHVELOA-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.96
Rot. Bonds

About 5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one

5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one (PubChem CID 155444794) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one.

Molecular Properties

Compound Name5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one
PubChem CID155444794
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one
SMILESCc1cc2cc(n1)-c1cnn(C)c1OCCCCCn1c(nc3ccccc31)NC2=O
InChIInChI=1S/C23H24N6O2/c1-15-12-16-13-19(25-15)17-14-24-28(2)22(17)31-11-7-3-6-10-29-20-9-5-4-8-18(20)26-23(29)27-21(16)30/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3,(H,26,27,30)
InChIKeyHSZPBWABHVELOA-UHFFFAOYSA-N
XLogP3.96
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one?
The IUPAC name of 5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one (CID 155444794) is 5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one.
What is the SMILES notation for 5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one?
The canonical SMILES for 5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one is Cc1cc2cc(n1)-c1cnn(C)c1OCCCCCn1c(nc3ccccc31)NC2=O.
What is the InChIKey of 5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one?
The InChIKey is HSZPBWABHVELOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-12-16-13-19(25-15)17-14-24-28(2)22(17)31-11-7-3-6-10-29-20-9-5-4-8-18(20)26-23(29)27-21(16)30/h4-5,8-9,12-14H,3,6-7,10-11H2,1-2H3,(H,26,27,30).
What are the key properties of 5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one?
5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one has a molecular weight of 416.49 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,26-dimethyl-7-oxa-4,5,13,20,22,27-hexazapentacyclo[22.3.1.02,6.013,21.014,19]octacosa-1(27),2(6),3,14,16,18,20,24(28),25-nonaen-23-one is sourced from PubChem (CID 155444794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).