4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one

C25H22ClFN4O2 — CID 50902181

IUPAC4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)C1CCC(C2)N1
InChIInChI=1S/C25H22ClFN4O2/c1-30-21-11-16-4-6-20(28-16)24(21)18-5-7-22(29-25(18)30)31-9-8-17(12-23(31)32)33-13-14-2-3-15(26)10-19(14)27/h2-3,5,7-10,12,16,20,28H,4,6,11,13H2,1H3
InChIKeyAQXAZJWIECLKLQ-UHFFFAOYSA-N
MW464.93 g/mol
LogP4.44
Rot. Bonds4

About 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one

4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one (PubChem CID 50902181) has the molecular formula C25H22ClFN4O2 and a molecular weight of 464.93 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
PubChem CID50902181
Molecular FormulaC25H22ClFN4O2
Molecular Weight464.93 g/mol
Exact Mass464.14
IUPAC Name4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
SMILESCn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)C1CCC(C2)N1
InChIInChI=1S/C25H22ClFN4O2/c1-30-21-11-16-4-6-20(28-16)24(21)18-5-7-22(29-25(18)30)31-9-8-17(12-23(31)32)33-13-14-2-3-15(26)10-19(14)27/h2-3,5,7-10,12,16,20,28H,4,6,11,13H2,1H3
InChIKeyAQXAZJWIECLKLQ-UHFFFAOYSA-N
XLogP4.44
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one 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 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one (CID 50902181) is 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one is Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)C1CCC(C2)N1.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The InChIKey is AQXAZJWIECLKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN4O2/c1-30-21-11-16-4-6-20(28-16)24(21)18-5-7-22(29-25(18)30)31-9-8-17(12-23(31)32)33-13-14-2-3-15(26)10-19(14)27/h2-3,5,7-10,12,16,20,28H,4,6,11,13H2,1H3.
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one has a molecular weight of 464.93 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(9-methyl-7,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one is sourced from PubChem (CID 50902181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).