3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one

C21H24F3N7O2 — CID 171597933

IUPAC3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one
SMILESCNc1nc(Nc2ccc(CCC(=O)N3CCOCC3)c3c2cnn3C)ncc1C(F)(F)F
InChIInChI=1S/C21H24F3N7O2/c1-25-19-15(21(22,23)24)12-26-20(29-19)28-16-5-3-13(18-14(16)11-27-30(18)2)4-6-17(32)31-7-9-33-10-8-31/h3,5,11-12H,4,6-10H2,1-2H3,(H2,25,26,28,29)
InChIKeyOJDLTUZYIHKGTO-UHFFFAOYSA-N
MW463.46 g/mol
LogP2.96
Rot. Bonds6

About 3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one

3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 171597933) has the molecular formula C21H24F3N7O2 and a molecular weight of 463.46 g/mol. Its IUPAC name is 3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID171597933
Molecular FormulaC21H24F3N7O2
Molecular Weight463.46 g/mol
Exact Mass463.19
IUPAC Name3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one
SMILESCNc1nc(Nc2ccc(CCC(=O)N3CCOCC3)c3c2cnn3C)ncc1C(F)(F)F
InChIInChI=1S/C21H24F3N7O2/c1-25-19-15(21(22,23)24)12-26-20(29-19)28-16-5-3-13(18-14(16)11-27-30(18)2)4-6-17(32)31-7-9-33-10-8-31/h3,5,11-12H,4,6-10H2,1-2H3,(H2,25,26,28,29)
InChIKeyOJDLTUZYIHKGTO-UHFFFAOYSA-N
XLogP2.96
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-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 3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one (CID 171597933) is 3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one is CNc1nc(Nc2ccc(CCC(=O)N3CCOCC3)c3c2cnn3C)ncc1C(F)(F)F.
What is the InChIKey of 3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is OJDLTUZYIHKGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7O2/c1-25-19-15(21(22,23)24)12-26-20(29-19)28-16-5-3-13(18-14(16)11-27-30(18)2)4-6-17(32)31-7-9-33-10-8-31/h3,5,11-12H,4,6-10H2,1-2H3,(H2,25,26,28,29).
What are the key properties of 3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 463.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]indazol-7-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 171597933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).