4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one

C26H24ClFN4O2 — CID 58092307

IUPAC4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)C1CCCN1CC2
InChIInChI=1S/C26H24ClFN4O2/c1-30-21-9-11-31-10-2-3-22(31)25(21)19-6-7-23(29-26(19)30)32-12-8-18(14-24(32)33)34-15-16-4-5-17(27)13-20(16)28/h4-8,12-14,22H,2-3,9-11,15H2,1H3
InChIKeyLQGBWJGJTAOBDA-UHFFFAOYSA-N
MW478.96 g/mol
LogP4.79
Rot. Bonds4

About 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one

4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one (PubChem CID 58092307) has the molecular formula C26H24ClFN4O2 and a molecular weight of 478.96 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one
PubChem CID58092307
Molecular FormulaC26H24ClFN4O2
Molecular Weight478.96 g/mol
Exact Mass478.16
IUPAC Name4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)C1CCCN1CC2
InChIInChI=1S/C26H24ClFN4O2/c1-30-21-9-11-31-10-2-3-22(31)25(21)19-6-7-23(29-26(19)30)32-12-8-18(14-24(32)33)34-15-16-4-5-17(27)13-20(16)28/h4-8,12-14,22H,2-3,9-11,15H2,1H3
InChIKeyLQGBWJGJTAOBDA-UHFFFAOYSA-N
XLogP4.79
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one (CID 58092307) is 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)C1CCCN1CC2.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one?
The InChIKey is LQGBWJGJTAOBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O2/c1-30-21-9-11-31-10-2-3-22(31)25(21)19-6-7-23(29-26(19)30)32-12-8-18(14-24(32)33)34-15-16-4-5-17(27)13-20(16)28/h4-8,12-14,22H,2-3,9-11,15H2,1H3.
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one?
4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one has a molecular weight of 478.96 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(10-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-13-yl)pyridin-2-one is sourced from PubChem (CID 58092307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).