13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol

C25H20N6O2 — CID 4974526

IUPAC13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
SMILESCN(C)c1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2C4c2cccnc2)cc1
InChIInChI=1S/C25H20N6O2/c1-30(2)17-7-5-15(6-8-17)23-28-24-22-21(16-4-3-11-26-13-16)19-10-9-18(32)12-20(19)33-25(22)27-14-31(24)29-23/h3-14,21,32H,1-2H3
InChIKeyCABGYSPBMUXTIA-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.24
Rot. Bonds3

About 13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol

13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol (PubChem CID 4974526) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol.

Molecular Properties

Compound Name13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
PubChem CID4974526
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
SMILESCN(C)c1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2C4c2cccnc2)cc1
InChIInChI=1S/C25H20N6O2/c1-30(2)17-7-5-15(6-8-17)23-28-24-22-21(16-4-3-11-26-13-16)19-10-9-18(32)12-20(19)33-25(22)27-14-31(24)29-23/h3-14,21,32H,1-2H3
InChIKeyCABGYSPBMUXTIA-UHFFFAOYSA-N
XLogP4.24
TPSA88.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol 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 13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol?
The IUPAC name of 13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol (CID 4974526) is 13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol.
What is the SMILES notation for 13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol?
The canonical SMILES for 13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol is CN(C)c1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2C4c2cccnc2)cc1.
What is the InChIKey of 13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol?
The InChIKey is CABGYSPBMUXTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-30(2)17-7-5-15(6-8-17)23-28-24-22-21(16-4-3-11-26-13-16)19-10-9-18(32)12-20(19)33-25(22)27-14-31(24)29-23/h3-14,21,32H,1-2H3.
What are the key properties of 13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol?
13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol has a molecular weight of 436.48 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[4-(dimethylamino)phenyl]-9-pyridin-3-yl-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol is sourced from PubChem (CID 4974526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).