3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine

C19H16FN5O2S — CID 58357643

IUPAC3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(-c3cccnc3)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H16FN5O2S/c1-12-9-16(13-5-4-8-22-11-13)25-19(23-12)17(18(21-2)24-25)28(26,27)15-7-3-6-14(20)10-15/h3-11H,1-2H3,(H,21,24)
InChIKeyLGTMZWQVVVTUJS-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.11
Rot. Bonds4

About 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine

3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 58357643) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID58357643
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC Name3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
SMILESCNc1nn2c(-c3cccnc3)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H16FN5O2S/c1-12-9-16(13-5-4-8-22-11-13)25-19(23-12)17(18(21-2)24-25)28(26,27)15-7-3-6-14(20)10-15/h3-11H,1-2H3,(H,21,24)
InChIKeyLGTMZWQVVVTUJS-UHFFFAOYSA-N
XLogP3.11
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine (CID 58357643) is 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(-c3cccnc3)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is LGTMZWQVVVTUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-12-9-16(13-5-4-8-22-11-13)25-19(23-12)17(18(21-2)24-25)28(26,27)15-7-3-6-14(20)10-15/h3-11H,1-2H3,(H,21,24).
What are the key properties of 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine?
3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 397.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 58357643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).