14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C24H22N4O5 — CID 71754856

IUPAC14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESO=c1ccc2c(oc3c(-c4ccc[nH]c4=O)c4c(=O)[nH]n(C5CCCCCC5)c4[nH]c32)c1O
InChIInChI=1S/C24H22N4O5/c29-15-10-9-14-18-21(33-20(14)19(15)30)16(13-8-5-11-25-23(13)31)17-22(26-18)28(27-24(17)32)12-6-3-1-2-4-7-12/h5,8-12,26,30H,1-4,6-7H2,(H,25,31)(H,27,32)
InChIKeyBCESVBHRWOFUGB-UHFFFAOYSA-N
MW446.46 g/mol
LogP3.87
Rot. Bonds2

About 14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (PubChem CID 71754856) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is 14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

Molecular Properties

Compound Name14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
PubChem CID71754856
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESO=c1ccc2c(oc3c(-c4ccc[nH]c4=O)c4c(=O)[nH]n(C5CCCCCC5)c4[nH]c32)c1O
InChIInChI=1S/C24H22N4O5/c29-15-10-9-14-18-21(33-20(14)19(15)30)16(13-8-5-11-25-23(13)31)17-22(26-18)28(27-24(17)32)12-6-3-1-2-4-7-12/h5,8-12,26,30H,1-4,6-7H2,(H,25,31)(H,27,32)
InChIKeyBCESVBHRWOFUGB-UHFFFAOYSA-N
XLogP3.87
TPSA136.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione 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 14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The IUPAC name of 14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (CID 71754856) is 14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.
What is the SMILES notation for 14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The canonical SMILES for 14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is O=c1ccc2c(oc3c(-c4ccc[nH]c4=O)c4c(=O)[nH]n(C5CCCCCC5)c4[nH]c32)c1O.
What is the InChIKey of 14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The InChIKey is BCESVBHRWOFUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c29-15-10-9-14-18-21(33-20(14)19(15)30)16(13-8-5-11-25-23(13)31)17-22(26-18)28(27-24(17)32)12-6-3-1-2-4-7-12/h5,8-12,26,30H,1-4,6-7H2,(H,25,31)(H,27,32).
What are the key properties of 14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione has a molecular weight of 446.46 g/mol, XLogP of 3.87, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cycloheptyl-6-hydroxy-10-(2-oxo-1H-pyridin-3-yl)-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is sourced from PubChem (CID 71754856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).