2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C25H24FN5O2S — CID 58662246

IUPAC2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESO=S(=O)(c1ccc(Nc2cc(-c3ccccc3F)nc3cc(C4CC4)nn23)cc1)N1CCCC1
InChIInChI=1S/C25H24FN5O2S/c26-21-6-2-1-5-20(21)23-16-24(31-25(28-23)15-22(29-31)17-7-8-17)27-18-9-11-19(12-10-18)34(32,33)30-13-3-4-14-30/h1-2,5-6,9-12,15-17,27H,3-4,7-8,13-14H2
InChIKeyRRWZFZTZTNQXRJ-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.94
Rot. Bonds6

About 2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58662246) has the molecular formula C25H24FN5O2S and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58662246
Molecular FormulaC25H24FN5O2S
Molecular Weight477.57 g/mol
Exact Mass477.16
IUPAC Name2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESO=S(=O)(c1ccc(Nc2cc(-c3ccccc3F)nc3cc(C4CC4)nn23)cc1)N1CCCC1
InChIInChI=1S/C25H24FN5O2S/c26-21-6-2-1-5-20(21)23-16-24(31-25(28-23)15-22(29-31)17-7-8-17)27-18-9-11-19(12-10-18)34(32,33)30-13-3-4-14-30/h1-2,5-6,9-12,15-17,27H,3-4,7-8,13-14H2
InChIKeyRRWZFZTZTNQXRJ-UHFFFAOYSA-N
XLogP4.94
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 58662246) is 2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is O=S(=O)(c1ccc(Nc2cc(-c3ccccc3F)nc3cc(C4CC4)nn23)cc1)N1CCCC1.
What is the InChIKey of 2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RRWZFZTZTNQXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2S/c26-21-6-2-1-5-20(21)23-16-24(31-25(28-23)15-22(29-31)17-7-8-17)27-18-9-11-19(12-10-18)34(32,33)30-13-3-4-14-30/h1-2,5-6,9-12,15-17,27H,3-4,7-8,13-14H2.
What are the key properties of 2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 477.57 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58662246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).