8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C24H25FN6O3 — CID 155443918

IUPAC8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cnc2c(NC(=O)c3cn4cc(C56COC(C)(C5)C6)nc4c(F)c3OC(C)C)cnn2c1
InChIInChI=1S/C24H25FN6O3/c1-13(2)34-19-15(22(32)28-16-6-27-31-7-14(3)5-26-20(16)31)8-30-9-17(29-21(30)18(19)25)24-10-23(4,11-24)33-12-24/h5-9,13H,10-12H2,1-4H3,(H,28,32)
InChIKeyICTKZBYXVQQXHY-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.68
Rot. Bonds5

About 8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 155443918) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is 8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID155443918
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cnc2c(NC(=O)c3cn4cc(C56COC(C)(C5)C6)nc4c(F)c3OC(C)C)cnn2c1
InChIInChI=1S/C24H25FN6O3/c1-13(2)34-19-15(22(32)28-16-6-27-31-7-14(3)5-26-20(16)31)8-30-9-17(29-21(30)18(19)25)24-10-23(4,11-24)33-12-24/h5-9,13H,10-12H2,1-4H3,(H,28,32)
InChIKeyICTKZBYXVQQXHY-UHFFFAOYSA-N
XLogP3.68
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 155443918) is 8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is Cc1cnc2c(NC(=O)c3cn4cc(C56COC(C)(C5)C6)nc4c(F)c3OC(C)C)cnn2c1.
What is the InChIKey of 8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ICTKZBYXVQQXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-13(2)34-19-15(22(32)28-16-6-27-31-7-14(3)5-26-20(16)31)8-30-9-17(29-21(30)18(19)25)24-10-23(4,11-24)33-12-24/h5-9,13H,10-12H2,1-4H3,(H,28,32).
What are the key properties of 8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 464.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-N-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 155443918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).