1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine

C21H16F2N6O3S — CID 170553657

IUPAC1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
SMILESCc1nn(-c2cc(S(C)(=O)=O)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C21H16F2N6O3S/c1-12-14-10-25-16(15-11-26-28-7-3-6-24-20(15)28)9-17(14)29(27-12)18-8-13(33(2,30)31)4-5-19(18)32-21(22)23/h3-11,21H,1-2H3
InChIKeyMEPYRFVBRSXZBL-UHFFFAOYSA-N
MW470.46 g/mol
LogP3.44
Rot. Bonds5

About 1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine

1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine (PubChem CID 170553657) has the molecular formula C21H16F2N6O3S and a molecular weight of 470.46 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
PubChem CID170553657
Molecular FormulaC21H16F2N6O3S
Molecular Weight470.46 g/mol
Exact Mass470.10
IUPAC Name1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine
SMILESCc1nn(-c2cc(S(C)(=O)=O)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12
InChIInChI=1S/C21H16F2N6O3S/c1-12-14-10-25-16(15-11-26-28-7-3-6-24-20(15)28)9-17(14)29(27-12)18-8-13(33(2,30)31)4-5-19(18)32-21(22)23/h3-11,21H,1-2H3
InChIKeyMEPYRFVBRSXZBL-UHFFFAOYSA-N
XLogP3.44
TPSA104.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Sdccggsk-0000079.P001
CID 9955516
2-N-(5-ethylsulfonyl-2-methoxyphenyl)-4-N-(3-methyl-2H-indazol-6-yl)pyrimidine-2,4-diamine
CID 10296887
3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[2-(trifluoromethoxy)phenyl]pyrazole-1-carbothioamide
CID 56679089
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(2-methoxy-phenyl)-amine
CID 57502380
7-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]thieno[3,2-b]pyridine
CID 60182386
1-(2-Methoxyphenyl)-4-(4-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridine
CID 56603369
N-[1-[6-(1,3-dimethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90114392
N-[4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohex-3-en-1-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90115480
2-Butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine
CID 135300338
2-Butylsulfinyl-7-(1,3-dimethylpyrazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 135300372
7-(2-methoxyphenyl)-8,9-dimethyl-2-(pyridin-4-yl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 17584439
3-(1H-indol-5-yl)-1-[2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 177375615

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine (CID 170553657) is 1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine is Cc1nn(-c2cc(S(C)(=O)=O)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12.
What is the InChIKey of 1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
The InChIKey is MEPYRFVBRSXZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O3S/c1-12-14-10-25-16(15-11-26-28-7-3-6-24-20(15)28)9-17(14)29(27-12)18-8-13(33(2,30)31)4-5-19(18)32-21(22)23/h3-11,21H,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine?
1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine has a molecular weight of 470.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-3-methyl-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 170553657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).