9-(4-methoxyphenyl)-13-pyridin-2-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

C24H17N5O3 — CID 3830622

IUPAC9-(4-methoxyphenyl)-13-pyridin-2-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
SMILESCOc1ccc(C2c3ccc(O)cc3Oc3ncn4nc(-c5ccccn5)nc4c32)cc1
InChIInChI=1S/C24H17N5O3/c1-31-16-8-5-14(6-9-16)20-17-10-7-15(30)12-19(17)32-24-21(20)23-27-22(28-29(23)13-26-24)18-4-2-3-11-25-18/h2-13,20,30H,1H3
InChIKeyLTRCYANLJUWTCC-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.19
Rot. Bonds3

About 9-(4-methoxyphenyl)-13-pyridin-2-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

9-(4-methoxyphenyl)-13-pyridin-2-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 3830622) has the molecular formula C24H17N5O3 and a molecular weight of 423.43 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-13-pyridin-2-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 Name9-(4-methoxyphenyl)-13-pyridin-2-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 CID3830622
Molecular FormulaC24H17N5O3
Molecular Weight423.43 g/mol
Exact Mass423.13
IUPAC Name9-(4-methoxyphenyl)-13-pyridin-2-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
SMILESCOc1ccc(C2c3ccc(O)cc3Oc3ncn4nc(-c5ccccn5)nc4c32)cc1
InChIInChI=1S/C24H17N5O3/c1-31-16-8-5-14(6-9-16)20-17-10-7-15(30)12-19(17)32-24-21(20)23-27-22(28-29(23)13-26-24)18-4-2-3-11-25-18/h2-13,20,30H,1H3
InChIKeyLTRCYANLJUWTCC-UHFFFAOYSA-N
XLogP4.19
TPSA94.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-(4-methoxyphenyl)-13-pyridin-2-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 9-(4-methoxyphenyl)-13-pyridin-2-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 9-(4-methoxyphenyl)-13-pyridin-2-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 3830622) is 9-(4-methoxyphenyl)-13-pyridin-2-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 9-(4-methoxyphenyl)-13-pyridin-2-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 9-(4-methoxyphenyl)-13-pyridin-2-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 COc1ccc(C2c3ccc(O)cc3Oc3ncn4nc(-c5ccccn5)nc4c32)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)-13-pyridin-2-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 LTRCYANLJUWTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3/c1-31-16-8-5-14(6-9-16)20-17-10-7-15(30)12-19(17)32-24-21(20)23-27-22(28-29(23)13-26-24)18-4-2-3-11-25-18/h2-13,20,30H,1H3.
What are the key properties of 9-(4-methoxyphenyl)-13-pyridin-2-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?
9-(4-methoxyphenyl)-13-pyridin-2-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 423.43 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-13-pyridin-2-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 3830622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).