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

C19H17F3N6O2 — CID 176510958

IUPAC1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one
SMILESCO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3ncnn3c2)cnc2cc(C(F)F)nn12
InChIInChI=1S/C19H17F3N6O2/c1-10(30-2)17-12(7-23-16-6-15(18(21)22)26-28(16)17)5-13(29)3-11-4-14(20)19-24-9-25-27(19)8-11/h4,6-10,18H,3,5H2,1-2H3/t10-/m0/s1
InChIKeyBANAZKDYYLAAMS-JTQLQIEISA-N
MW418.38 g/mol
LogP2.91
Rot. Bonds7

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

1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one (PubChem CID 176510958) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one
PubChem CID176510958
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC Name1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one
SMILESCO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3ncnn3c2)cnc2cc(C(F)F)nn12
InChIInChI=1S/C19H17F3N6O2/c1-10(30-2)17-12(7-23-16-6-15(18(21)22)26-28(16)17)5-13(29)3-11-4-14(20)19-24-9-25-27(19)8-11/h4,6-10,18H,3,5H2,1-2H3/t10-/m0/s1
InChIKeyBANAZKDYYLAAMS-JTQLQIEISA-N
XLogP2.91
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one?
The IUPAC name of 1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one (CID 176510958) is 1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one.
What is the SMILES notation for 1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one?
The canonical SMILES for 1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one is CO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3ncnn3c2)cnc2cc(C(F)F)nn12.
What is the InChIKey of 1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one?
The InChIKey is BANAZKDYYLAAMS-JTQLQIEISA-N. The full InChI is InChI=1S/C19H17F3N6O2/c1-10(30-2)17-12(7-23-16-6-15(18(21)22)26-28(16)17)5-13(29)3-11-4-14(20)19-24-9-25-27(19)8-11/h4,6-10,18H,3,5H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one?
1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one has a molecular weight of 418.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-7-[(1S)-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propan-2-one is sourced from PubChem (CID 176510958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).