2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile

C26H20FN5O2 — CID 155762095

IUPAC2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile
SMILESN#Cc1c(N2CCNCC2)ccc2c(OCc3ccc(F)cc3)c3c(nc12)-c1cccn1C3=O
InChIInChI=1S/C26H20FN5O2/c27-17-5-3-16(4-6-17)15-34-25-18-7-8-20(31-12-9-29-10-13-31)19(14-28)23(18)30-24-21-2-1-11-32(21)26(33)22(24)25/h1-8,11,29H,9-10,12-13,15H2
InChIKeyIXJOMZSRCWGENJ-UHFFFAOYSA-N
MW453.48 g/mol
LogP3.70
Rot. Bonds4

About 2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile

2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile (PubChem CID 155762095) has the molecular formula C26H20FN5O2 and a molecular weight of 453.48 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile
PubChem CID155762095
Molecular FormulaC26H20FN5O2
Molecular Weight453.48 g/mol
Exact Mass453.16
IUPAC Name2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile
SMILESN#Cc1c(N2CCNCC2)ccc2c(OCc3ccc(F)cc3)c3c(nc12)-c1cccn1C3=O
InChIInChI=1S/C26H20FN5O2/c27-17-5-3-16(4-6-17)15-34-25-18-7-8-20(31-12-9-29-10-13-31)19(14-28)23(18)30-24-21-2-1-11-32(21)26(33)22(24)25/h1-8,11,29H,9-10,12-13,15H2
InChIKeyIXJOMZSRCWGENJ-UHFFFAOYSA-N
XLogP3.70
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile with MolForge

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Related Compounds

2-[(4-fluorophenyl)methoxy]-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaene-7-carbonitrile
CID 151156115
4-[(5-fluoro-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-2-yl)oxymethyl]benzonitrile
CID 155762145
2-[(4-fluorophenyl)methoxy]-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 155762193
7-fluoro-9-[(4-fluorophenyl)methyl]-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
CID 155762312
2-[(4-chlorophenyl)methoxy]-4-fluoro-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaen-16-one
CID 147882946
2-(4-fluorophenoxy)-16-oxo-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-5-carbonitrile
CID 155762283
1-[(4-fluorophenyl)methyl]-2-oxo-4-piperazin-1-ylquinoline-3-carbonitrile;hydrochloride
CID 70874272
1-[(4-fluorophenyl)methyl]-2-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carbonitrile
CID 59391437
2-(2,2-dimethylpropoxy)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 155762043
2-fluoro-6-piperazin-1-ylbenzonitrile;hydrochloride
CID 42935470
5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
CID 157163231
5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride
CID 172813583

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile (CID 155762095) is 2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile is N#Cc1c(N2CCNCC2)ccc2c(OCc3ccc(F)cc3)c3c(nc12)-c1cccn1C3=O.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile?
The InChIKey is IXJOMZSRCWGENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O2/c27-17-5-3-16(4-6-17)15-34-25-18-7-8-20(31-12-9-29-10-13-31)19(14-28)23(18)30-24-21-2-1-11-32(21)26(33)22(24)25/h1-8,11,29H,9-10,12-13,15H2.
What are the key properties of 2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile?
2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile has a molecular weight of 453.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-16-oxo-6-piperazin-1-yl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),4,6,9,11,13-heptaene-7-carbonitrile is sourced from PubChem (CID 155762095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).