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-trifluoropropan-2-ol

C26H31F6N7O2 — CID 146544508

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-trifluoropropan-2-ol
SMILESCc1c(CN2CCC(C(C)(O)C(F)(F)F)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12
InChIInChI=1S/C26H31F6N7O2/c1-15-16(14-37-5-3-17(4-6-37)24(2,40)26(30,31)32)11-20-23(38-7-9-41-10-8-38)35-22(36-39(15)20)18-13-34-21(33)12-19(18)25(27,28)29/h11-13,17,40H,3-10,14H2,1-2H3,(H2,33,34)
InChIKeyWVCAJIZFEBAEOF-UHFFFAOYSA-N
MW587.57 g/mol
LogP4.06
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-trifluoropropan-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-trifluoropropan-2-ol (PubChem CID 146544508) has the molecular formula C26H31F6N7O2 and a molecular weight of 587.57 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-trifluoropropan-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-trifluoropropan-2-ol
PubChem CID146544508
Molecular FormulaC26H31F6N7O2
Molecular Weight587.57 g/mol
Exact Mass587.24
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-trifluoropropan-2-ol
SMILESCc1c(CN2CCC(C(C)(O)C(F)(F)F)CC2)cc2c(N3CCOCC3)nc(-c3cnc(N)cc3C(F)(F)F)nn12
InChIInChI=1S/C26H31F6N7O2/c1-15-16(14-37-5-3-17(4-6-37)24(2,40)26(30,31)32)11-20-23(38-7-9-41-10-8-38)35-22(36-39(15)20)18-13-34-21(33)12-19(18)25(27,28)29/h11-13,17,40H,3-10,14H2,1-2H3,(H2,33,34)
InChIKeyWVCAJIZFEBAEOF-UHFFFAOYSA-N
XLogP4.06
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.57
LogP ≤ 54.06
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-trifluoropropan-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-trifluoropropan-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-trifluoropropan-2-ol (CID 146544508) 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-trifluoropropan-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-trifluoropropan-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-trifluoropropan-2-ol is Cc1c(CN2CCC(C(C)(O)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-trifluoropropan-2-ol?
The InChIKey is WVCAJIZFEBAEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F6N7O2/c1-15-16(14-37-5-3-17(4-6-37)24(2,40)26(30,31)32)11-20-23(38-7-9-41-10-8-38)35-22(36-39(15)20)18-13-34-21(33)12-19(18)25(27,28)29/h11-13,17,40H,3-10,14H2,1-2H3,(H2,33,34).
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-trifluoropropan-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-trifluoropropan-2-ol has a molecular weight of 587.57 g/mol, XLogP of 4.06, 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-trifluoropropan-2-ol is sourced from PubChem (CID 146544508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).