26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene

C25H28N6O2 — CID 138718625

IUPAC26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene
SMILESCc1nn(C(C)C)c2c3cc(nc12)-c1cccnc1OCCCCOc1cccnc1CN3
InChIInChI=1S/C25H28N6O2/c1-16(2)31-24-20-14-19(29-23(24)17(3)30-31)18-8-6-11-27-25(18)33-13-5-4-12-32-22-9-7-10-26-21(22)15-28-20/h6-11,14,16,28H,4-5,12-13,15H2,1-3H3
InChIKeyHHYVSMVGFQLTLE-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.94
Rot. Bonds1

About 26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene

26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene (PubChem CID 138718625) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene.

Molecular Properties

Compound Name26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene
PubChem CID138718625
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene
SMILESCc1nn(C(C)C)c2c3cc(nc12)-c1cccnc1OCCCCOc1cccnc1CN3
InChIInChI=1S/C25H28N6O2/c1-16(2)31-24-20-14-19(29-23(24)17(3)30-31)18-8-6-11-27-25(18)33-13-5-4-12-32-22-9-7-10-26-21(22)15-28-20/h6-11,14,16,28H,4-5,12-13,15H2,1-3H3
InChIKeyHHYVSMVGFQLTLE-UHFFFAOYSA-N
XLogP4.94
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene 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 26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene?
The IUPAC name of 26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene (CID 138718625) is 26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene.
What is the SMILES notation for 26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene?
The canonical SMILES for 26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene is Cc1nn(C(C)C)c2c3cc(nc12)-c1cccnc1OCCCCOc1cccnc1CN3.
What is the InChIKey of 26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene?
The InChIKey is HHYVSMVGFQLTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-16(2)31-24-20-14-19(29-23(24)17(3)30-31)18-8-6-11-27-25(18)33-13-5-4-12-32-22-9-7-10-26-21(22)15-28-20/h6-11,14,16,28H,4-5,12-13,15H2,1-3H3.
What are the key properties of 26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene?
26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene has a molecular weight of 444.54 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 26-methyl-24-propan-2-yl-8,13-dioxa-6,18,21,24,25,28-hexazapentacyclo[20.6.1.02,7.014,19.023,27]nonacosa-1(28),2(7),3,5,14(19),15,17,22(29),23(27),25-decaene is sourced from PubChem (CID 138718625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).