1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea

C17H14F4N8O2 — CID 168993817

IUPAC1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCO[C@@H](C)c1c(NC(=O)Nc2cc(F)c3ncnn3c2)cnc2cc(C(F)(F)F)nn12
InChIInChI=1S/C17H14F4N8O2/c1-8(31-2)14-11(5-22-13-4-12(17(19,20)21)27-29(13)14)26-16(30)25-9-3-10(18)15-23-7-24-28(15)6-9/h3-8H,1-2H3,(H2,25,26,30)/t8-/m0/s1
InChIKeyGZXYUIWENCUHCY-QMMMGPOBSA-N
MW438.35 g/mol
LogP3.28
Rot. Bonds4

About 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea

1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea (PubChem CID 168993817) has the molecular formula C17H14F4N8O2 and a molecular weight of 438.35 g/mol. Its IUPAC name is 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea.

Molecular Properties

Compound Name1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
PubChem CID168993817
Molecular FormulaC17H14F4N8O2
Molecular Weight438.35 g/mol
Exact Mass438.12
IUPAC Name1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCO[C@@H](C)c1c(NC(=O)Nc2cc(F)c3ncnn3c2)cnc2cc(C(F)(F)F)nn12
InChIInChI=1S/C17H14F4N8O2/c1-8(31-2)14-11(5-22-13-4-12(17(19,20)21)27-29(13)14)26-16(30)25-9-3-10(18)15-23-7-24-28(15)6-9/h3-8H,1-2H3,(H2,25,26,30)/t8-/m0/s1
InChIKeyGZXYUIWENCUHCY-QMMMGPOBSA-N
XLogP3.28
TPSA110.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The IUPAC name of 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea (CID 168993817) is 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea.
What is the SMILES notation for 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The canonical SMILES for 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea is CO[C@@H](C)c1c(NC(=O)Nc2cc(F)c3ncnn3c2)cnc2cc(C(F)(F)F)nn12.
What is the InChIKey of 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
The InChIKey is GZXYUIWENCUHCY-QMMMGPOBSA-N. The full InChI is InChI=1S/C17H14F4N8O2/c1-8(31-2)14-11(5-22-13-4-12(17(19,20)21)27-29(13)14)26-16(30)25-9-3-10(18)15-23-7-24-28(15)6-9/h3-8H,1-2H3,(H2,25,26,30)/t8-/m0/s1.
What are the key properties of 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea?
1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea has a molecular weight of 438.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]urea is sourced from PubChem (CID 168993817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).