2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile

C16H13FN6O — CID 171505600

IUPAC2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile
SMILESCOc1cn2ncc(-c3nc(N)c(C#N)cc3F)c2nc1C1CC1
InChIInChI=1S/C16H13FN6O/c1-24-12-7-23-16(22-13(12)8-2-3-8)10(6-20-23)14-11(17)4-9(5-18)15(19)21-14/h4,6-8H,2-3H2,1H3,(H2,19,21)
InChIKeyRZPXDKWZHQSUHO-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.27
Rot. Bonds3

About 2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile

2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile (PubChem CID 171505600) has the molecular formula C16H13FN6O and a molecular weight of 324.32 g/mol. Its IUPAC name is 2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile
PubChem CID171505600
Molecular FormulaC16H13FN6O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC Name2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile
SMILESCOc1cn2ncc(-c3nc(N)c(C#N)cc3F)c2nc1C1CC1
InChIInChI=1S/C16H13FN6O/c1-24-12-7-23-16(22-13(12)8-2-3-8)10(6-20-23)14-11(17)4-9(5-18)15(19)21-14/h4,6-8H,2-3H2,1H3,(H2,19,21)
InChIKeyRZPXDKWZHQSUHO-UHFFFAOYSA-N
XLogP2.27
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile (CID 171505600) is 2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile is COc1cn2ncc(-c3nc(N)c(C#N)cc3F)c2nc1C1CC1.
What is the InChIKey of 2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile?
The InChIKey is RZPXDKWZHQSUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O/c1-24-12-7-23-16(22-13(12)8-2-3-8)10(6-20-23)14-11(17)4-9(5-18)15(19)21-14/h4,6-8H,2-3H2,1H3,(H2,19,21).
What are the key properties of 2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile?
2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile has a molecular weight of 324.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-cyclopropyl-6-methoxypyrazolo[1,5-a]pyrimidin-3-yl)-5-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 171505600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).