2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C26H28F9N7O2 — CID 146544485

IUPAC2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1c(CN2CCC(C(O)(C(F)(F)F)C(F)(F)F)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12
InChIInChI=1S/C26H28F9N7O2/c1-14-15(13-40-4-2-16(3-5-40)23(43,25(30,31)32)26(33,34)35)10-19-22(41-6-8-44-9-7-41)38-21(39-42(14)19)17-12-37-20(36)11-18(17)24(27,28)29/h10-12,16,43H,2-9,13H2,1H3,(H2,36,37)
InChIKeyLKRIHCOULRFIEW-UHFFFAOYSA-N
MW641.54 g/mol
LogP4.61
Rot. Bonds5

About 2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 146544485) has the molecular formula C26H28F9N7O2 and a molecular weight of 641.54 g/mol. Its IUPAC name is 2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID146544485
Molecular FormulaC26H28F9N7O2
Molecular Weight641.54 g/mol
Exact Mass641.22
IUPAC Name2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1c(CN2CCC(C(O)(C(F)(F)F)C(F)(F)F)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12
InChIInChI=1S/C26H28F9N7O2/c1-14-15(13-40-4-2-16(3-5-40)23(43,25(30,31)32)26(33,34)35)10-19-22(41-6-8-44-9-7-41)38-21(39-42(14)19)17-12-37-20(36)11-18(17)24(27,28)29/h10-12,16,43H,2-9,13H2,1H3,(H2,36,37)
InChIKeyLKRIHCOULRFIEW-UHFFFAOYSA-N
XLogP4.61
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500641.54
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 146544485) is 2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1c(CN2CCC(C(O)(C(F)(F)F)C(F)(F)F)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12.
What is the InChIKey of 2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is LKRIHCOULRFIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F9N7O2/c1-14-15(13-40-4-2-16(3-5-40)23(43,25(30,31)32)26(33,34)35)10-19-22(41-6-8-44-9-7-41)38-21(39-42(14)19)17-12-37-20(36)11-18(17)24(27,28)29/h10-12,16,43H,2-9,13H2,1H3,(H2,36,37).
What are the key properties of 2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 641.54 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-7-methyl-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methyl]piperidin-4-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 146544485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).