6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione

C24H17ClF3N7O2 — CID 162623517

IUPAC6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione
SMILESCc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)c(F)c3)c2=O)c1
InChIInChI=1S/C24H17ClF3N7O2/c1-12-3-15(9-29-8-12)35-23(36)31-22(30-20-6-14-11-33(2)32-19(14)7-16(20)25)34(24(35)37)10-13-4-17(26)21(28)18(27)5-13/h3-9,11H,10H2,1-2H3,(H,30,31,36)
InChIKeyFTIFIZZEWIBTMR-UHFFFAOYSA-N
MW527.89 g/mol
LogP3.85
Rot. Bonds5

About 6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione

6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione (PubChem CID 162623517) has the molecular formula C24H17ClF3N7O2 and a molecular weight of 527.89 g/mol. Its IUPAC name is 6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione
PubChem CID162623517
Molecular FormulaC24H17ClF3N7O2
Molecular Weight527.89 g/mol
Exact Mass527.11
IUPAC Name6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione
SMILESCc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)c(F)c3)c2=O)c1
InChIInChI=1S/C24H17ClF3N7O2/c1-12-3-15(9-29-8-12)35-23(36)31-22(30-20-6-14-11-33(2)32-19(14)7-16(20)25)34(24(35)37)10-13-4-17(26)21(28)18(27)5-13/h3-9,11H,10H2,1-2H3,(H,30,31,36)
InChIKeyFTIFIZZEWIBTMR-UHFFFAOYSA-N
XLogP3.85
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.89
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione 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 6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione (CID 162623517) is 6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione is Cc1cncc(-n2c(=O)nc(Nc3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)c(F)c3)c2=O)c1.
What is the InChIKey of 6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione?
The InChIKey is FTIFIZZEWIBTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N7O2/c1-12-3-15(9-29-8-12)35-23(36)31-22(30-20-6-14-11-33(2)32-19(14)7-16(20)25)34(24(35)37)10-13-4-17(26)21(28)18(27)5-13/h3-9,11H,10H2,1-2H3,(H,30,31,36).
What are the key properties of 6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione?
6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione has a molecular weight of 527.89 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-methylindazol-5-yl)amino]-3-(5-methyl-3-pyridinyl)-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 162623517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).