4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one

C102H96ClF5N18O7 — CID 160517381

IUPAC4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
SMILESCc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4n3)CC3CCCN3C5)c(=O)c2)cn1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)CN1CCCC1C2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CN1CCCC1C2.Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C26H24ClFN4O2.C26H24F2N4O2.C25H23F2N5O2.C25H25N5O/c2*1-30-23-12-18-3-2-9-31(18)14-21(23)20-6-7-24(29-26(20)30)32-10-8-19(13-25(32)33)34-15-16-4-5-17(27)11-22(16)28;1-30-22-10-16-3-2-7-31(16)13-19(22)18-4-5-23(29-25(18)30)32-8-6-17(11-24(32)33)34-14-21-20(27)9-15(26)12-28-21;1-16-5-6-18(14-26-16)17-9-11-30(24(31)12-17)23-8-7-20-21-15-29-10-3-4-19(29)13-22(21)28(2)25(20)27-23/h2*4-8,10-11,13,18H,2-3,9,12,14-15H2,1H3;4-6,8-9,11-12,16H,2-3,7,10,13-14H2,1H3;5-9,11-12,14,19H,3-4,10,13,15H2,1-2H3
InChIKeyQTVFHYINMRNRIZ-UHFFFAOYSA-N
MW1816.45 g/mol
LogP15.83
Rot. Bonds14

About 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one

4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one (PubChem CID 160517381) has the molecular formula C102H96ClF5N18O7 and a molecular weight of 1816.45 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
PubChem CID160517381
Molecular FormulaC102H96ClF5N18O7
Molecular Weight1816.45 g/mol
Exact Mass1814.73
IUPAC Name4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one
SMILESCc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4n3)CC3CCCN3C5)c(=O)c2)cn1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)CN1CCCC1C2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CN1CCCC1C2.Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)nc31)CN1CCCC1C2
InChIInChI=1S/C26H24ClFN4O2.C26H24F2N4O2.C25H23F2N5O2.C25H25N5O/c2*1-30-23-12-18-3-2-9-31(18)14-21(23)20-6-7-24(29-26(20)30)32-10-8-19(13-25(32)33)34-15-16-4-5-17(27)11-22(16)28;1-30-22-10-16-3-2-7-31(16)13-19(22)18-4-5-23(29-25(18)30)32-8-6-17(11-24(32)33)34-14-21-20(27)9-15(26)12-28-21;1-16-5-6-18(14-26-16)17-9-11-30(24(31)12-17)23-8-7-20-21-15-29-10-3-4-19(29)13-22(21)28(2)25(20)27-23/h2*4-8,10-11,13,18H,2-3,9,12,14-15H2,1H3;4-6,8-9,11-12,16H,2-3,7,10,13-14H2,1H3;5-9,11-12,14,19H,3-4,10,13,15H2,1-2H3
InChIKeyQTVFHYINMRNRIZ-UHFFFAOYSA-N
XLogP15.83
TPSA225.71 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001816.45
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-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-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one (CID 160517381) is 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one is Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4n3)CC3CCCN3C5)c(=O)c2)cn1.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5F)cc4=O)nc31)CN1CCCC1C2.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5F)cc4=O)nc31)CN1CCCC1C2.Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)nc31)CN1CCCC1C2.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?
The InChIKey is QTVFHYINMRNRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O2.C26H24F2N4O2.C25H23F2N5O2.C25H25N5O/c2*1-30-23-12-18-3-2-9-31(18)14-21(23)20-6-7-24(29-26(20)30)32-10-8-19(13-25(32)33)34-15-16-4-5-17(27)11-22(16)28;1-30-22-10-16-3-2-7-31(16)13-19(22)18-4-5-23(29-25(18)30)32-8-6-17(11-24(32)33)34-14-21-20(27)9-15(26)12-28-21;1-16-5-6-18(14-26-16)17-9-11-30(24(31)12-17)23-8-7-20-21-15-29-10-3-4-19(29)13-22(21)28(2)25(20)27-23/h2*4-8,10-11,13,18H,2-3,9,12,14-15H2,1H3;4-6,8-9,11-12,16H,2-3,7,10,13-14H2,1H3;5-9,11-12,14,19H,3-4,10,13,15H2,1-2H3.
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one?
4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one has a molecular weight of 1816.45 g/mol, XLogP of 15.83, 14 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(2,4-difluorophenyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-[(3,5-difluoro-2-pyridinyl)methoxy]-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one;4-(6-methyl-3-pyridinyl)-1-(8-methyl-6,8,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-5-yl)pyridin-2-one is sourced from PubChem (CID 160517381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).