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

C17H17FN8O2 — CID 168993804

IUPAC1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCO[C@@H](C)c1c(NC(=O)Nc2cc(F)c3ncnn3c2)cnc2cc(C)nn12
InChIInChI=1S/C17H17FN8O2/c1-9-4-14-19-6-13(15(10(2)28-3)26(14)24-9)23-17(27)22-11-5-12(18)16-20-8-21-25(16)7-11/h4-8,10H,1-3H3,(H2,22,23,27)/t10-/m0/s1
InChIKeyYAZVACDSRDSBJA-JTQLQIEISA-N
MW384.38 g/mol
LogP2.57
Rot. Bonds4

About 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[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-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea (PubChem CID 168993804) has the molecular formula C17H17FN8O2 and a molecular weight of 384.38 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-methylpyrazolo[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-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
PubChem CID168993804
Molecular FormulaC17H17FN8O2
Molecular Weight384.38 g/mol
Exact Mass384.15
IUPAC Name1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea
SMILESCO[C@@H](C)c1c(NC(=O)Nc2cc(F)c3ncnn3c2)cnc2cc(C)nn12
InChIInChI=1S/C17H17FN8O2/c1-9-4-14-19-6-13(15(10(2)28-3)26(14)24-9)23-17(27)22-11-5-12(18)16-20-8-21-25(16)7-11/h4-8,10H,1-3H3,(H2,22,23,27)/t10-/m0/s1
InChIKeyYAZVACDSRDSBJA-JTQLQIEISA-N
XLogP2.57
TPSA110.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 52.57
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-methylpyrazolo[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-methylpyrazolo[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-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea (CID 168993804) is 1-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[7-[(1S)-1-methoxyethyl]-2-methylpyrazolo[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-methylpyrazolo[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-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea is CO[C@@H](C)c1c(NC(=O)Nc2cc(F)c3ncnn3c2)cnc2cc(C)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-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea?
The InChIKey is YAZVACDSRDSBJA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17FN8O2/c1-9-4-14-19-6-13(15(10(2)28-3)26(14)24-9)23-17(27)22-11-5-12(18)16-20-8-21-25(16)7-11/h4-8,10H,1-3H3,(H2,22,23,27)/t10-/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-methylpyrazolo[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-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea has a molecular weight of 384.38 g/mol, XLogP of 2.57, 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-methylpyrazolo[1,5-a]pyrimidin-6-yl]urea is sourced from PubChem (CID 168993804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).