2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol

C27H35F3N8O2 — CID 146544627

IUPAC2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol
SMILESCc1c(CN2CC3CC2CN3C(C)(C)CO)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12
InChIInChI=1S/C27H35F3N8O2/c1-16-17(12-36-13-19-9-18(36)14-37(19)26(2,3)15-39)8-22-25(35-4-6-40-7-5-35)33-24(34-38(16)22)20-11-32-23(31)10-21(20)27(28,29)30/h8,10-11,18-19,39H,4-7,9,12-15H2,1-3H3,(H2,31,32)
InChIKeyUWRDUZTVFOPNGS-UHFFFAOYSA-N
MW560.63 g/mol
LogP2.57
Rot. Bonds6

About 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol

2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol (PubChem CID 146544627) has the molecular formula C27H35F3N8O2 and a molecular weight of 560.63 g/mol. Its IUPAC name is 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol
PubChem CID146544627
Molecular FormulaC27H35F3N8O2
Molecular Weight560.63 g/mol
Exact Mass560.28
IUPAC Name2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol
SMILESCc1c(CN2CC3CC2CN3C(C)(C)CO)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12
InChIInChI=1S/C27H35F3N8O2/c1-16-17(12-36-13-19-9-18(36)14-37(19)26(2,3)15-39)8-22-25(35-4-6-40-7-5-35)33-24(34-38(16)22)20-11-32-23(31)10-21(20)27(28,29)30/h8,10-11,18-19,39H,4-7,9,12-15H2,1-3H3,(H2,31,32)
InChIKeyUWRDUZTVFOPNGS-UHFFFAOYSA-N
XLogP2.57
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.63
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol 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 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol (CID 146544627) is 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol is Cc1c(CN2CC3CC2CN3C(C)(C)CO)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.
What is the InChIKey of 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol?
The InChIKey is UWRDUZTVFOPNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F3N8O2/c1-16-17(12-36-13-19-9-18(36)14-37(19)26(2,3)15-39)8-22-25(35-4-6-40-7-5-35)33-24(34-38(16)22)20-11-32-23(31)10-21(20)27(28,29)30/h8,10-11,18-19,39H,4-7,9,12-15H2,1-3H3,(H2,31,32).
What are the key properties of 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol?
2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol has a molecular weight of 560.63 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 146544627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).