1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine

C16H16FN5O3S — CID 141106657

IUPAC1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
SMILESCS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNC4)ncnc32)c(F)c1
InChIInChI=1S/C16H16FN5O3S/c1-26(23,24)11-2-3-14(13(17)6-11)22-15-12(8-21-22)16(20-9-19-15)25-10-4-5-18-7-10/h2-3,6,8-10,18H,4-5,7H2,1H3
InChIKeyUZVPESZXIQRMEV-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.10
Rot. Bonds4

About 1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine

1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine (PubChem CID 141106657) has the molecular formula C16H16FN5O3S and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
PubChem CID141106657
Molecular FormulaC16H16FN5O3S
Molecular Weight377.40 g/mol
Exact Mass377.10
IUPAC Name1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
SMILESCS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNC4)ncnc32)c(F)c1
InChIInChI=1S/C16H16FN5O3S/c1-26(23,24)11-2-3-14(13(17)6-11)22-15-12(8-21-22)16(20-9-19-15)25-10-4-5-18-7-10/h2-3,6,8-10,18H,4-5,7H2,1H3
InChIKeyUZVPESZXIQRMEV-UHFFFAOYSA-N
XLogP1.10
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 141106636
1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
CID 11360802
4-[[3-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypyrrolidin-1-yl]methyl]-3-propan-2-yl-5H-1,2,4-oxadiazole
CID 69007974
1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
CID 141280007
1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
CID 62348088
2-(2-chloro-5-fluoro-3-pyridinyl)-4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carbaldehyde
CID 87218329
4-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]butan-2-one
CID 69348118
butyl 4-[1-[2-(dimethylamino)-4-methylsulfonylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 150596065
[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-pyridazin-4-ylmethanone
CID 11179086
3-[4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]pyrrolidine
CID 68606724
propan-2-yl 4-[1-(2-fluoro-4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57496329
1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 174586184

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine (CID 141106657) is 1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine is CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNC4)ncnc32)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine?
The InChIKey is UZVPESZXIQRMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3S/c1-26(23,24)11-2-3-14(13(17)6-11)22-15-12(8-21-22)16(20-9-19-15)25-10-4-5-18-7-10/h2-3,6,8-10,18H,4-5,7H2,1H3.
What are the key properties of 1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine?
1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine has a molecular weight of 377.40 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 141106657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).