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]propan-2-one

C19H19FN6O2 — CID 176510932

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]propan-2-one
SMILESCO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3ncnn3c2)cnc2cc(C)nn12
InChIInChI=1S/C19H19FN6O2/c1-11-4-17-21-8-14(18(12(2)28-3)26(17)24-11)7-15(27)5-13-6-16(20)19-22-10-23-25(19)9-13/h4,6,8-10,12H,5,7H2,1-3H3/t12-/m0/s1
InChIKeyMQALZZXRMCGDIQ-LBPRGKRZSA-N
MW382.40 g/mol
LogP2.28
Rot. Bonds6

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]propan-2-one

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]propan-2-one (PubChem CID 176510932) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 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]propan-2-one.

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]propan-2-one
PubChem CID176510932
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
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]propan-2-one
SMILESCO[C@@H](C)c1c(CC(=O)Cc2cc(F)c3ncnn3c2)cnc2cc(C)nn12
InChIInChI=1S/C19H19FN6O2/c1-11-4-17-21-8-14(18(12(2)28-3)26(17)24-11)7-15(27)5-13-6-16(20)19-22-10-23-25(19)9-13/h4,6,8-10,12H,5,7H2,1-3H3/t12-/m0/s1
InChIKeyMQALZZXRMCGDIQ-LBPRGKRZSA-N
XLogP2.28
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
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]propan-2-one 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]propan-2-one?
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]propan-2-one (CID 176510932) 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]propan-2-one.
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]propan-2-one?
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]propan-2-one is CO[C@@H](C)c1c(CC(=O)Cc2cc(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]propan-2-one?
The InChIKey is MQALZZXRMCGDIQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-11-4-17-21-8-14(18(12(2)28-3)26(17)24-11)7-15(27)5-13-6-16(20)19-22-10-23-25(19)9-13/h4,6,8-10,12H,5,7H2,1-3H3/t12-/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]propan-2-one?
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]propan-2-one has a molecular weight of 382.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 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]propan-2-one is sourced from PubChem (CID 176510932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).