5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine

C25H25FN6O2S — CID 67294872

IUPAC5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1c(C2C[C@H]3CC[C@@H](C2)N3)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn2c1N
InChIInChI=1S/C25H25FN6O2S/c1-35(33,34)23-22(15-10-16-7-8-17(11-15)30-16)31-25-19(13-29-32(25)24(23)27)14-6-9-21(28-12-14)18-4-2-3-5-20(18)26/h2-6,9,12-13,15-17,30H,7-8,10-11,27H2,1H3/t15?,16-,17+
InChIKeyQVELQZZAHDIWAC-ALOPSCKCSA-N
MW492.58 g/mol
LogP3.58
Rot. Bonds4

About 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine

5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 67294872) has the molecular formula C25H25FN6O2S and a molecular weight of 492.58 g/mol. Its IUPAC name is 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID67294872
Molecular FormulaC25H25FN6O2S
Molecular Weight492.58 g/mol
Exact Mass492.17
IUPAC Name5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCS(=O)(=O)c1c(C2C[C@H]3CC[C@@H](C2)N3)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn2c1N
InChIInChI=1S/C25H25FN6O2S/c1-35(33,34)23-22(15-10-16-7-8-17(11-15)30-16)31-25-19(13-29-32(25)24(23)27)14-6-9-21(28-12-14)18-4-2-3-5-20(18)26/h2-6,9,12-13,15-17,30H,7-8,10-11,27H2,1H3/t15?,16-,17+
InChIKeyQVELQZZAHDIWAC-ALOPSCKCSA-N
XLogP3.58
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine (CID 67294872) is 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)c1c(C2C[C@H]3CC[C@@H](C2)N3)nc2c(-c3ccc(-c4ccccc4F)nc3)cnn2c1N.
What is the InChIKey of 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QVELQZZAHDIWAC-ALOPSCKCSA-N. The full InChI is InChI=1S/C25H25FN6O2S/c1-35(33,34)23-22(15-10-16-7-8-17(11-15)30-16)31-25-19(13-29-32(25)24(23)27)14-6-9-21(28-12-14)18-4-2-3-5-20(18)26/h2-6,9,12-13,15-17,30H,7-8,10-11,27H2,1H3/t15?,16-,17+.
What are the key properties of 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine?
5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 492.58 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-fluorophenyl)-3-pyridinyl]-6-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 67294872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).