4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid

C24H24F3N7O3 — CID 150057590

IUPAC4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCC(C)(C)N1CN=C(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)n4)cc3)cc(C(=O)O)n21
InChIInChI=1S/C24H24F3N7O3/c1-23(2,3)33-12-29-20(28)19-15(11-16(21(35)36)34(19)33)13-7-9-14(10-8-13)30-22(37)32-18-6-4-5-17(31-18)24(25,26)27/h4-11H,12H2,1-3H3,(H2,28,29)(H,35,36)(H2,30,31,32,37)
InChIKeyDMPWMRKQAYAKEJ-UHFFFAOYSA-N
MW515.50 g/mol
LogP4.32
Rot. Bonds4

About 4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid

4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid (PubChem CID 150057590) has the molecular formula C24H24F3N7O3 and a molecular weight of 515.50 g/mol. Its IUPAC name is 4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid
PubChem CID150057590
Molecular FormulaC24H24F3N7O3
Molecular Weight515.50 g/mol
Exact Mass515.19
IUPAC Name4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid
SMILESCC(C)(C)N1CN=C(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)n4)cc3)cc(C(=O)O)n21
InChIInChI=1S/C24H24F3N7O3/c1-23(2,3)33-12-29-20(28)19-15(11-16(21(35)36)34(19)33)13-7-9-14(10-8-13)30-22(37)32-18-6-4-5-17(31-18)24(25,26)27/h4-11H,12H2,1-3H3,(H2,28,29)(H,35,36)(H2,30,31,32,37)
InChIKeyDMPWMRKQAYAKEJ-UHFFFAOYSA-N
XLogP4.32
TPSA137.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.50
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid 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-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid?
The IUPAC name of 4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid (CID 150057590) is 4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid.
What is the SMILES notation for 4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid?
The canonical SMILES for 4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid is CC(C)(C)N1CN=C(N)c2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)n4)cc3)cc(C(=O)O)n21.
What is the InChIKey of 4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid?
The InChIKey is DMPWMRKQAYAKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O3/c1-23(2,3)33-12-29-20(28)19-15(11-16(21(35)36)34(19)33)13-7-9-14(10-8-13)30-22(37)32-18-6-4-5-17(31-18)24(25,26)27/h4-11H,12H2,1-3H3,(H2,28,29)(H,35,36)(H2,30,31,32,37).
What are the key properties of 4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid?
4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid has a molecular weight of 515.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-tert-butyl-5-[4-[[6-(trifluoromethyl)-2-pyridinyl]carbamoylamino]phenyl]-2H-pyrrolo[2,1-f][1,2,4]triazine-7-carboxylic acid is sourced from PubChem (CID 150057590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).