N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

C33H32FN7O6 — CID 155288272

IUPACN-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCOc1cc(-c2cccc(-c3cccc(NC(=O)c4nn(C)c(=O)n(C)c4=O)c3C)c2C)cc(F)c1CNCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C33H32FN7O6/c1-17-21(19-12-25(34)24(27(13-19)47-5)16-35-14-20-15-36-32(45)38-29(20)42)8-6-9-22(17)23-10-7-11-26(18(23)2)37-30(43)28-31(44)40(3)33(46)41(4)39-28/h6-13,15,35H,14,16H2,1-5H3,(H,37,43)(H2,36,38,42,45)
InChIKeyCXYAGEYEIMAELT-UHFFFAOYSA-N
MW641.66 g/mol
LogP2.50
Rot. Bonds9

About N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide

N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (PubChem CID 155288272) has the molecular formula C33H32FN7O6 and a molecular weight of 641.66 g/mol. Its IUPAC name is N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
PubChem CID155288272
Molecular FormulaC33H32FN7O6
Molecular Weight641.66 g/mol
Exact Mass641.24
IUPAC NameN-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
SMILESCOc1cc(-c2cccc(-c3cccc(NC(=O)c4nn(C)c(=O)n(C)c4=O)c3C)c2C)cc(F)c1CNCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C33H32FN7O6/c1-17-21(19-12-25(34)24(27(13-19)47-5)16-35-14-20-15-36-32(45)38-29(20)42)8-6-9-22(17)23-10-7-11-26(18(23)2)37-30(43)28-31(44)40(3)33(46)41(4)39-28/h6-13,15,35H,14,16H2,1-5H3,(H,37,43)(H2,36,38,42,45)
InChIKeyCXYAGEYEIMAELT-UHFFFAOYSA-N
XLogP2.50
TPSA172.97 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500641.66
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3-[4-[[(3-amino-2,2-dimethyl-3-oxopropyl)amino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 155288384
N-[3-[3-[4-[[(4-amino-4-oxobutyl)amino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 155288524
N-[3-[3-[4-[[(3-amino-2,2-dimethyl-3-oxopropyl)amino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 155288410
N-[3-[3-[4-(aminomethyl)-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 155288375
2-[[2-fluoro-6-methoxy-4-[2-methyl-3-[2-methyl-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]phenyl]phenyl]phenyl]methylamino]acetic acid
CID 155288264
N-[3-[3-[4-[[(3-amino-2,2-dimethyl-3-oxopropyl)amino]methyl]-5-fluoro-3-methoxy-2-propylphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 155312093
N-[3-[3-[3-fluoro-5-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-1-methyl-6-oxopyrimidine-5-carboxamide
CID 155311610
N-[3-[3-[3-fluoro-4-[(2-hydroxyethylamino)methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]pyrimidine-4-carboxamide
CID 155288557
N-[3-[3-[3-fluoro-5-methoxy-4-[[[(3R)-4-oxooxolan-3-yl]amino]methyl]phenyl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 155723500
N-[3-[3-[3-fluoro-4-[[[(3R,4R)-3-hydroxyoxan-4-yl]amino]methyl]-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 155288340
(2S)-2-[[2-fluoro-6-methoxy-4-[2-methyl-3-[2-methyl-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]phenyl]phenyl]phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid
CID 155379569
N-[2-chloro-3-[3-[3-fluoro-5-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]-2-methylphenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 155288666

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide (CID 155288272) is N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is COc1cc(-c2cccc(-c3cccc(NC(=O)c4nn(C)c(=O)n(C)c4=O)c3C)c2C)cc(F)c1CNCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
The InChIKey is CXYAGEYEIMAELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN7O6/c1-17-21(19-12-25(34)24(27(13-19)47-5)16-35-14-20-15-36-32(45)38-29(20)42)8-6-9-22(17)23-10-7-11-26(18(23)2)37-30(43)28-31(44)40(3)33(46)41(4)39-28/h6-13,15,35H,14,16H2,1-5H3,(H,37,43)(H2,36,38,42,45).
What are the key properties of N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide?
N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide has a molecular weight of 641.66 g/mol, XLogP of 2.50, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]methyl]-3-fluoro-5-methoxyphenyl]-2-methylphenyl]-2-methylphenyl]-2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 155288272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).