3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C20H18FN5O2S — CID 164622201

IUPAC3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccc(F)cc3)cnn2c(NCc2ccccn2)c1S(C)(=O)=O
InChIInChI=1S/C20H18FN5O2S/c1-13-18(29(2,27)28)20(23-11-16-5-3-4-10-22-16)26-19(25-13)17(12-24-26)14-6-8-15(21)9-7-14/h3-10,12,23H,11H2,1-2H3
InChIKeyQTTHGYGOJDKHJV-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.25
Rot. Bonds5

About 3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 164622201) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID164622201
Molecular FormulaC20H18FN5O2S
Molecular Weight411.46 g/mol
Exact Mass411.12
IUPAC Name3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2c(-c3ccc(F)cc3)cnn2c(NCc2ccccn2)c1S(C)(=O)=O
InChIInChI=1S/C20H18FN5O2S/c1-13-18(29(2,27)28)20(23-11-16-5-3-4-10-22-16)26-19(25-13)17(12-24-26)14-6-8-15(21)9-7-14/h3-10,12,23H,11H2,1-2H3
InChIKeyQTTHGYGOJDKHJV-UHFFFAOYSA-N
XLogP3.25
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Cep-33779
CID 57336812
Czc-24832
CID 42623951
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
N-Methyl-(3-phenylsulfonyl)-7,8-dihydro-6H-cyclopenta[e]-pyrazolo[1,5-a]pyrimidin-2-amine
CID 44156628
N-Methyl-(3-phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazolin-2-amine
CID 44156754
N-Methyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-amine
CID 46867519
N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
N-[6-(5-Methylsulfonylpyridin-3-Yl)-[1,2,4]triazolo[1,5-A]pyridin-2-Yl]ethanamide
CID 25128663
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 164622201) is 3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2c(-c3ccc(F)cc3)cnn2c(NCc2ccccn2)c1S(C)(=O)=O.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QTTHGYGOJDKHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c1-13-18(29(2,27)28)20(23-11-16-5-3-4-10-22-16)26-19(25-13)17(12-24-26)14-6-8-15(21)9-7-14/h3-10,12,23H,11H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 411.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-6-methylsulfonyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 164622201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).